Self-trapping excitons(STEs) emission in metal halides has been a matter of interest, correlating with the strength of electron-phonon coupling in the lattice, which are usually caused by ions with ns~2 electronic str...Self-trapping excitons(STEs) emission in metal halides has been a matter of interest, correlating with the strength of electron-phonon coupling in the lattice, which are usually caused by ions with ns~2 electronic structure. In this work, Sb^(3+)/Te^(4+)ions doped Zn-based halide single crystals(SCs) with two STEs emissions have been synthesized and the possibility of its anti-counterfeiting application was explored.Further, the relationship between the strength of electron-phonon coupling and photoluminescence quantum yields(PLQYs) for STEs in a series of metal halides has been studied. And the semi-empirical range of the Huang-Rhys factors(S) for metal halides with excellent photoluminescence(PL) property has been summarized. This work provides ideas for further research into the relationship between luminescence performance and electron-phonon coupling of metal halides, and also provides a reference for designing the metal halides with high PLQYs.展开更多
The influence of electron-phonon interactions on third-harmonic generation in a square quantum well is investigated. The first- and third-harmonic generation coefficient is obtained by using compact-density-matrix app...The influence of electron-phonon interactions on third-harmonic generation in a square quantum well is investigated. The first- and third-harmonic generation coefficient is obtained by using compact-density-matrix approach and iterative method, and the numerical results are presented for a GaAs square quantum well. The results show that the third-harmonic generation coefficient is obviously enhanced after considering the influence of electron-phonon interactions.展开更多
Using a transient thermoreflectance （TTR） technique, several Au films with different thicknesses on glass and SiC substrates are measured for thermal characterization of metMlic nano-films, including the electron ph...Using a transient thermoreflectance （TTR） technique, several Au films with different thicknesses on glass and SiC substrates are measured for thermal characterization of metMlic nano-films, including the electron phonon coupling factor G, interfazial thermal resistance R, and thermal conductivity Ks of the substrate. The rear heating-front detecting （RF） method is used to ensure the femtosecond temporal resolution. An intense laser beam is focused on the rear surface to heat the film, and another weak laser beam is focused on the very spot of the front surface to detect the change in the electron temperature. By varying the optical path delay between the two beams, a complete electron temperature profile can be scanned. Different from the normally used single-layer model, the double-layer model involving interfaciM thermal resistance is studied here. The electron temperature cooling profile can be affected by the electron energy transfer into the substrate or the electron-phonon interactions in the metallic films. For multiple-target optimization, the genetic algorithm （GA） is used to obtain both G and R. The experimental result gives a deep understanding of the mechanism of ultra-fast heat transfer in metals.展开更多
This study presents experimental evidence of the dependence of non-radiative recombination processes on the electron-phonon coupling of perovskite in perovskite solar cells(PSCs).Via A-site cation engineering,a weaker...This study presents experimental evidence of the dependence of non-radiative recombination processes on the electron-phonon coupling of perovskite in perovskite solar cells(PSCs).Via A-site cation engineering,a weaker electron-phonon coupling in perovskite has been achieved by introducing the structurally soft cyclohexane methylamine(CMA^(+))cation,which could serve as a damper to alleviate the mechanical stress caused by lattice oscillations,compared to the rigid phenethyl methylamine(PEA^(+))analog.It demonstrates a significantly lower non-radiative recombination rate,even though the two types of bulky cations have similar chemical passivation effects on perovskite,which might be explained by the suppressed carrier capture process and improved lattice geometry relaxation.The resulting PSCs achieve an exceptional power conversion efficiency(PCE)of 25.5%with a record-high opencircuit voltage(V_(OC))of 1.20 V for narrow bandgap perovskite(FAPbI_(3)).The established correlations between electron-phonon coupling and non-radiative decay provide design and screening criteria for more effective passivators for highly efficient PSCs approaching the Shockley-Queisser limit.展开更多
Traditional ligand-field theory has to be improved by taking into account both 'pure electronic' contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of ...Traditional ligand-field theory has to be improved by taking into account both 'pure electronic' contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of improved ligand-field theory, R1, R2, R'3, R'2, and R'1 lines, U band, ground-state zero-field-splitting (GSZFS), and ground-state g factors of ruby and/or GSGG: Cr3+ as well as thermal shifts of GSZFS, R1 line and R2 line of ruby have been calculated.The results are in very good agreement with the experimental data. Moreover, it is found that the value of cubic-field parameter given by traditional ligand-field theory is inappropriately large. For thermal shifts of GSZFS, R1 line and R2 line of ruby, several conclusions have also been obtained.展开更多
The photo-induced ultrafast electron dynamics in both anatase and rutile TiO_(2) are investigated by using the Boltzmann transport equation with the explicit incorporation of electron-phonon scattering rates.All struc...The photo-induced ultrafast electron dynamics in both anatase and rutile TiO_(2) are investigated by using the Boltzmann transport equation with the explicit incorporation of electron-phonon scattering rates.All structural parameters required for dynamic simulations are obtained from ab initio calculations.The results show that although the longitudinal optical modes significantly affect the electron energy relaxation dynamics in both phases due to strong Fr?hlich-type couplings,the detailed relaxation mechanisms have obvious differences.In the case of a single band,the energy relaxation time in anatase is 24.0 fs,twice longer than 11.8 fs in rutile.This discrepancy is explained by the different diffusion distributions over the electronic Bloch states and different scattering contributions from acoustic modes in the two phases.As for the multiple-band situation involving the lowest six conduction bands,the predicted overall relaxation times are about 47 fs and 57 fs in anatase and rutile,respectively,very different from the case of the single band.The slower relaxation in rutile is attributed to the existence of multiple rate-controlled steps during the dynamic process.The present findings may be helpful to control the electron dynamics for designing efficient TiO_(2)-based devices.展开更多
The electron-phonon interaction influences on lineax and nonfineax optical absorption in cylindrical quantum wires （CQW） with an infinite confining potential axe investigated. The optical absorption coefficients are...The electron-phonon interaction influences on lineax and nonfineax optical absorption in cylindrical quantum wires （CQW） with an infinite confining potential axe investigated. The optical absorption coefficients are obtained by using the compact-density-matrix approach and iterative method, and the numerical results are presented for GaAs CQW. The results show that the electron-phonon interaction makes a distinct influence on optical absorption in CQW. The electron-phonon interaction on the wave functions of electron dominates the values of absorption coefficients and the correction of the electron-phonon effect on the energies of the electron makes the absorption peaks blue shift and become wider. Moreover, the electron-phonon interaction influence on optical absorption with an infinite confining potential is different from that with a finite confining potential.展开更多
The confined longitudinal-optical （LO） phonon and surface-optical （SO） phonon modes of a free-standing annular cylindrical quantum dot are derived within the framework of dielectric continuum approximation. It is ...The confined longitudinal-optical （LO） phonon and surface-optical （SO） phonon modes of a free-standing annular cylindrical quantum dot are derived within the framework of dielectric continuum approximation. It is found that there exist two types of SO phonon modes： top SO （TSO） mode and side SO（SSO） mode in a cylindrical quantum annulus. Numerical calculation on CdS annulus system has been performed. Results reveal that the two different solutions of SSO mode distribute mainly at the inner or outer surfaces of the annulus. The dispersion relations and the coupling intensions of phonons in a quantum annulus are compared with those in a cylindrical quantum dot. It is found that the dispersion relations of the two different structures are similar, but the coupling intension of the phonon-electron interaction in quantum annulus is larger than that in quantum dot. The Hamiltonians describing the free phonon modes and their interactions with electrons in the system are also derived.展开更多
Using an expression of optical conductivity,based on the linear response theory,the Green's function technique and within the Holstein Hamiltonian model,the effect of electron-phonon interaction on the optical con...Using an expression of optical conductivity,based on the linear response theory,the Green's function technique and within the Holstein Hamiltonian model,the effect of electron-phonon interaction on the optical conductivity of graphene plane is studied.It is found that the electron-phonon coupling increases the optical conductivity of graphene sheet in the low frequency region due to decreasing quasiparticle weight of electron excitation while the optical conductivity reduces in the high frequency region.The latter is due to role of electrical field's frequency.展开更多
XB_(2)(X=Mg and Al)compounds have drawn great attention for their superior electronic characteristics and potential applications in semiconductors and superconductors.The study of phonon thermal transport properties o...XB_(2)(X=Mg and Al)compounds have drawn great attention for their superior electronic characteristics and potential applications in semiconductors and superconductors.The study of phonon thermal transport properties of XB_(2)is significant to their application and mechanism behind research.In this work,the phonon thermal transport properties of three-dimensional(3D)and two-dimensional(2D)XB_(2)were studied by first-principles calculations.After considering the electron-phonon interaction(EPI),the thermal conductivities(TCs)of 3D Mg B_(2)and 3D Al B_(2)decrease by 29%and 16%which is consistent with experimental values.Moreover,the underlying mechanisms of reduction on lattice TCs are the decrease in phonon lifetime and heat capacity when considering quantum confinement effect.More importantly,we are surprised to find that there is a correlation between quantum confinement effect and EPI.The quantum confinement will change the phonon and electron characteristics which has an impact on EPI.Overall,our work is expected to provide insights into the phonon thermal transport properties of XB_(2)compounds considering EPI and quantum confinement effect.展开更多
A new non-perturbative method is used to discuss the persistent current in a one-dimensional mesoscopic ring threaded by a flux φ with electron-phonon interaction in the lattice model. The current is periodic in φ w...A new non-perturbative method is used to discuss the persistent current in a one-dimensional mesoscopic ring threaded by a flux φ with electron-phonon interaction in the lattice model. The current is periodic in φ with a flux quantum φ 0 and the electron-phonon interaction suppresses the persistent current. By considering the contributions of many-phonon correlations, we could obtain more accurate results.展开更多
Within the framework of the dielectric continuum model and Loudon ＇s uniaxial crystal model, the properties of frequency dispersion of the propagating （PR） optical phonon modes and the coupling functions of electro...Within the framework of the dielectric continuum model and Loudon ＇s uniaxial crystal model, the properties of frequency dispersion of the propagating （PR） optical phonon modes and the coupling functions of electron-PR phonons interaction in an asymmetrical wurtzite quantum well （QW） are deduced and analyzed via the method of electrostatic potential expanding. Numerical calculation on an asymmetrical Alo.25Gao.75N/GaN/Alo.15Gao.ssN wurtzite QW were performed. The results reveal that there are infinite branches of PR phonon modes in the systems. The behaviors of frequency forbidden of PR modes in the asymmetric QWs have been clearly observed. The mathematical and physical origins for these features have been analyzed in depth. The PR optical phonon branches have been distinguished and labelled reasonably in terms of the oscillating properties of the PR modes in the well-layer material. Moreover, the amplitudes and frequency properties of the electron-PR modes coupling functions in the barrier and well materials have also been analyzed from both of the mathematical and physical viewpoints.展开更多
Electron-phonon coupling （EPC） in cuprate and iron-based superconducting systems, as revealed by Raman scat- tering, is briefly reviewed. We introduce how to extract the coupling information through phonon lineshape...Electron-phonon coupling （EPC） in cuprate and iron-based superconducting systems, as revealed by Raman scat- tering, is briefly reviewed. We introduce how to extract the coupling information through phonon lineshape. Then we discuss the strength of EPC in different high-temperature superconductor （HTSC） systems and possible factors affecting the strength. A comparative study between Raman phonon theories and experiments allows us to gain insight into some crucial electronic properties, especially superconductivity. Finally, we summarize and compare EPC in the two existing HTSC systems, and discuss what role it may play in the HTSC.展开更多
The electron-phonon interaction can reveal the microscopic mechanism of heat transfer in metals.The two-step heat conduction considering electron-phonon interaction has become an effective theoretical model for extrem...The electron-phonon interaction can reveal the microscopic mechanism of heat transfer in metals.The two-step heat conduction considering electron-phonon interaction has become an effective theoretical model for extreme environments,such as micro-scale and ultrafast processes.In this work,the two-step heat transfer model is further extended by considering the Burgers heat conduction model with the secondorder heat flux rate for electrons.Then,a novel generalized electron-phonon coupling thermoelasticity is proposed with the Burgers electronic heat transfer.Then,the problem of one-dimensional semi-infinite copper strip subject to a thermal shock at one side is studied by the Burgers two-step(BTS)model.The thermoelastic analytical solutions are systematically derived in the Laplace domain,and the numerical Laplace inversion method is adopted to obtain the transient responses.The new model is compared with the parabolic two-step(PTS)model and the hyperbolic two-step(HTS)model.The results show that in ultrafast heating,the BTS model has the same wave front jump as the HTS model.The present model has the faster wave speed,and predicts the bigger disturbed regions than the HTS model.More deeply,all two-step models also have the faster wave speeds than one-step models.This work may benefit the theoretical modeling of ultrafast heating of metals.展开更多
By means of improved ligand-field theory, the ＂pure electronic＂ pressure-induced shift （PS） and the PS due to electron-phonon interaction （EPI） of R-line of MgO：Cr^3＋ have been calculated, respectively. The ca...By means of improved ligand-field theory, the ＂pure electronic＂ pressure-induced shift （PS） and the PS due to electron-phonon interaction （EPI） of R-line of MgO：Cr^3＋ have been calculated, respectively. The calculated results are in very good agreement with the experimental data. The behaviors of the pure electronic PS of R-line of MgO：Cr^3＋ and the PS of its R-line due to EPI are different. It is the combined effect of them that gives rise to the total PS of R-line, which has satisfactorily explained the experimental results. The comparison between the feature of R-line PS of MgO：Cr^3＋ and that of R1-line PS of ruby has been made.展开更多
We present our theoretical investigations on the effects of disorder on the electron-phonon interaction in semiconducting GaAs system. Both the temperature (T) and disorder (electron mean free path l) dependences of t...We present our theoretical investigations on the effects of disorder on the electron-phonon interaction in semiconducting GaAs system. Both the temperature (T) and disorder (electron mean free path l) dependences of the electron-phonon scattering rate have been determined. On consideration of the dynamic screening, we find a significant change in the temperature exponent as well as the pre factor from the earlier reported temperature power law dependence result ?T6 obtained under static screening. Also the dynamic screening makes a noticeable change in the character of the dependence of scattering rate on the mean free path from the static screening result.展开更多
Halide perovskites have attracted great interest as active layers in optoelectronic devices. Among perovskites with diverse compositions, α-FAPbI_(3) is of utmost importance with great optoelectronic properties and a...Halide perovskites have attracted great interest as active layers in optoelectronic devices. Among perovskites with diverse compositions, α-FAPbI_(3) is of utmost importance with great optoelectronic properties and a decent bandgap of 1.48 eV.However, the α-phase suffers an irreversible transition to the photo-inactive δ-phase, whereas the δ-phase is usually regarded as useless phase with poor optoelectronic properties. Therefore, it is commonly accepted that the thermodynamic stable δ-FAPbI_(3) greatly limits the application of FAPbI_(3). Every coin has two sides, although the δ-phase is difficult to apply as photoelectrical active layers, it is possible to combine δ-FAPbI_(3) with α-FAPbI_(3) to realize functional applications. Firstly, this review analyzes the cause of the contrasting properties between α-and δ-FAPbI_(3), where the stronger electron-phonon coupling in 1D hexagonal δ-FAPbI_(3) restricts its internal carrier and phonon transport. Secondly, the factors affecting the phase transitions and strategies to control phase transition between α-and δ-FAPbI_(3) are presented. Finally, some functional applications of δ-FAPbI_(3) in combination with α-FAPbI_(3) are given according to previous reports. By and large, we hope to introduce δ-FAPbI_(3) from another perspective and give some insights into its unique properties, hopefully providing new strategies for the subsequent advances to FAPbI_(3).展开更多
Enhancing the stability of piezoelectric properties is essential for ensuring the reliability of high-temperature piezoelectric sensors.In this study,we have synthesized AlN piezoelectric crystals as representative ma...Enhancing the stability of piezoelectric properties is essential for ensuring the reliability of high-temperature piezoelectric sensors.In this study,we have synthesized AlN piezoelectric crystals as representative materials and employed first-principles methods to investigate their temperature-dependent piezoelectric properties.By integrating the effects of lattice expansion and electron–phonon interactions,we accurately constructed the crystal structure of AlN across a wide temperature range and successfully predicted its piezoelectric behavior.Theoretical analysis reveals that ion polarization driven by lattice distortion and elastic softening of chemical bonds maintains the overall structural integrity of defect-free AlN single crystals,resulting in a stable piezoelectric coefficient d33 with a deviation of only 8.55%at temperatures up to 1300 K.However,experimental results indicate that the stability of the piezoelectric performance of the grown AlN crystals is disrupted at temperatures above 870 K.This temperature limitation is attributed to point defects within AlN crystals,particularly those caused by oxygen-substituted nitrogen(ON).These findings provide valuable guidance for enhancing the piezoelectric temperature stability of AlN crystals through optimized experimental conditions,such as oxygen atmosphere treatment and defect modification during crystal growth.展开更多
The relatively lower performance of n-type legs has significantly hindered the application of PbTe ma-terials in medium-temperature thermoelectric(TE)power generation,underscoring the urgent need to enhance the TE per...The relatively lower performance of n-type legs has significantly hindered the application of PbTe ma-terials in medium-temperature thermoelectric(TE)power generation,underscoring the urgent need to enhance the TE performance of n-type PbTe.In this study,electron-phonon decoupling was achieved through the precise manipulation of a single copper-doping element in PbTe(i.e.,Pb_(1.005-x)Cu_(2 x+0.003)Te),enabling the concurrent optimization of phonon transport and electrical properties.High-content Cu dop-ing induced substantial lattice strain and abundant precipitates,which effectively scattered heat-carrying phonons and significantly reduced lattice thermal conductivity.Simultaneously,the retention of high mo-bility and the self-regulation of electron concentration improved electrical performance across a broad temperature range.As a result,an impressive average zT of 1.3 was achieved from 523 to 823 K in n-type Pb_(0.985)Cu_(0.043)Te.Building on this,a seven-pair TE module was fabricated,attaining an energy conversion efficiency of∼8%under a temperature difference of 420 K.This work provides fresh insights into strate-gies for enhancing the TE performance of n-type PbTe.展开更多
A new variational-ansatz of states of electrons and phonons was proposed on the basis of the Holstein model in strongly coupled electron-phonon systems for studying the influence of nonadiabatic phonon fluctuation,ari...A new variational-ansatz of states of electrons and phonons was proposed on the basis of the Holstein model in strongly coupled electron-phonon systems for studying the influence of nonadiabatic phonon fluctuation,arising from the motion and density fluctuation of electrons,on the properties of ground state,uncertainty relation,stability of polarons,charge density wave(CDW)and phonon staggered ordering.The new ansatz represents the correlation among the displacement and squeezing states of phonons and polaron’s state of electrons as well as the squeezing-antisqueezing effect.The correlation and squeezing-antisqueezing ef-fect result in the decrease of ground state energy,enhancement of stability of the systems,increase of binding energy of the polarons,weakening of the growing speed of polaron narrowing of the electron band,increase of the charge density wave order and suppression of the increased tendency of anomalous quantum fluctuation of the phonons in such a case,when compared with the uncorrelated case in the systems.The results obtained show that the ground state determined by the new state ansatz is most stable,thus the new ansatz describing the properties of the coupled electron phonon systems is very relevant and available,especially in strongly coupled and largely squeezed cases.展开更多
基金supported by the financial aid from the National Natural Science Foundation of China (No. 22271273)International Partnership Program of Chinese Academy of Sciences (No. 121522KYSB20190022)。
文摘Self-trapping excitons(STEs) emission in metal halides has been a matter of interest, correlating with the strength of electron-phonon coupling in the lattice, which are usually caused by ions with ns~2 electronic structure. In this work, Sb^(3+)/Te^(4+)ions doped Zn-based halide single crystals(SCs) with two STEs emissions have been synthesized and the possibility of its anti-counterfeiting application was explored.Further, the relationship between the strength of electron-phonon coupling and photoluminescence quantum yields(PLQYs) for STEs in a series of metal halides has been studied. And the semi-empirical range of the Huang-Rhys factors(S) for metal halides with excellent photoluminescence(PL) property has been summarized. This work provides ideas for further research into the relationship between luminescence performance and electron-phonon coupling of metal halides, and also provides a reference for designing the metal halides with high PLQYs.
基金The project supported by National Natural Science Foundation of China under Grant No. 60478010, the Science and Technology Committee of Guangdong Province of China under Grant Nos. 2004B10301014 and 04105406, Science and Technology Bureau of Guangzhou under Grant Nos. 200J1-C0031 and 2004J1-C0226, and Education Bureau of Guangzhou under Grant No. 2024
文摘The influence of electron-phonon interactions on third-harmonic generation in a square quantum well is investigated. The first- and third-harmonic generation coefficient is obtained by using compact-density-matrix approach and iterative method, and the numerical results are presented for a GaAs square quantum well. The results show that the third-harmonic generation coefficient is obviously enhanced after considering the influence of electron-phonon interactions.
基金supported by the National Natural Science Foundation of China (Grant Nos. 50730006,50976053,and 50906042)
文摘Using a transient thermoreflectance （TTR） technique, several Au films with different thicknesses on glass and SiC substrates are measured for thermal characterization of metMlic nano-films, including the electron phonon coupling factor G, interfazial thermal resistance R, and thermal conductivity Ks of the substrate. The rear heating-front detecting （RF） method is used to ensure the femtosecond temporal resolution. An intense laser beam is focused on the rear surface to heat the film, and another weak laser beam is focused on the very spot of the front surface to detect the change in the electron temperature. By varying the optical path delay between the two beams, a complete electron temperature profile can be scanned. Different from the normally used single-layer model, the double-layer model involving interfaciM thermal resistance is studied here. The electron temperature cooling profile can be affected by the electron energy transfer into the substrate or the electron-phonon interactions in the metallic films. For multiple-target optimization, the genetic algorithm （GA） is used to obtain both G and R. The experimental result gives a deep understanding of the mechanism of ultra-fast heat transfer in metals.
基金supported by the National Natural Science Foundation of China(U21A20331,81903743,22005322,22279151,and 22275004)National Science Fund for Distinguished Young Scholars(21925506).
文摘This study presents experimental evidence of the dependence of non-radiative recombination processes on the electron-phonon coupling of perovskite in perovskite solar cells(PSCs).Via A-site cation engineering,a weaker electron-phonon coupling in perovskite has been achieved by introducing the structurally soft cyclohexane methylamine(CMA^(+))cation,which could serve as a damper to alleviate the mechanical stress caused by lattice oscillations,compared to the rigid phenethyl methylamine(PEA^(+))analog.It demonstrates a significantly lower non-radiative recombination rate,even though the two types of bulky cations have similar chemical passivation effects on perovskite,which might be explained by the suppressed carrier capture process and improved lattice geometry relaxation.The resulting PSCs achieve an exceptional power conversion efficiency(PCE)of 25.5%with a record-high opencircuit voltage(V_(OC))of 1.20 V for narrow bandgap perovskite(FAPbI_(3)).The established correlations between electron-phonon coupling and non-radiative decay provide design and screening criteria for more effective passivators for highly efficient PSCs approaching the Shockley-Queisser limit.
文摘Traditional ligand-field theory has to be improved by taking into account both 'pure electronic' contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of improved ligand-field theory, R1, R2, R'3, R'2, and R'1 lines, U band, ground-state zero-field-splitting (GSZFS), and ground-state g factors of ruby and/or GSGG: Cr3+ as well as thermal shifts of GSZFS, R1 line and R2 line of ruby have been calculated.The results are in very good agreement with the experimental data. Moreover, it is found that the value of cubic-field parameter given by traditional ligand-field theory is inappropriately large. For thermal shifts of GSZFS, R1 line and R2 line of ruby, several conclusions have also been obtained.
基金supported by the National Natural Science Foundation of China(No.22033006,No.21833006 and No.21773191)。
文摘The photo-induced ultrafast electron dynamics in both anatase and rutile TiO_(2) are investigated by using the Boltzmann transport equation with the explicit incorporation of electron-phonon scattering rates.All structural parameters required for dynamic simulations are obtained from ab initio calculations.The results show that although the longitudinal optical modes significantly affect the electron energy relaxation dynamics in both phases due to strong Fr?hlich-type couplings,the detailed relaxation mechanisms have obvious differences.In the case of a single band,the energy relaxation time in anatase is 24.0 fs,twice longer than 11.8 fs in rutile.This discrepancy is explained by the different diffusion distributions over the electronic Bloch states and different scattering contributions from acoustic modes in the two phases.As for the multiple-band situation involving the lowest six conduction bands,the predicted overall relaxation times are about 47 fs and 57 fs in anatase and rutile,respectively,very different from the case of the single band.The slower relaxation in rutile is attributed to the existence of multiple rate-controlled steps during the dynamic process.The present findings may be helpful to control the electron dynamics for designing efficient TiO_(2)-based devices.
基金Scientific Research Fired of the Education Department of Zhejiang Province of China
文摘The electron-phonon interaction influences on lineax and nonfineax optical absorption in cylindrical quantum wires （CQW） with an infinite confining potential axe investigated. The optical absorption coefficients are obtained by using the compact-density-matrix approach and iterative method, and the numerical results are presented for GaAs CQW. The results show that the electron-phonon interaction makes a distinct influence on optical absorption in CQW. The electron-phonon interaction on the wave functions of electron dominates the values of absorption coefficients and the correction of the electron-phonon effect on the energies of the electron makes the absorption peaks blue shift and become wider. Moreover, the electron-phonon interaction influence on optical absorption with an infinite confining potential is different from that with a finite confining potential.
基金the Scientific and Technology Project of Guangzhou Municipal Government under Grant No.2004J1-C0327
文摘The confined longitudinal-optical （LO） phonon and surface-optical （SO） phonon modes of a free-standing annular cylindrical quantum dot are derived within the framework of dielectric continuum approximation. It is found that there exist two types of SO phonon modes： top SO （TSO） mode and side SO（SSO） mode in a cylindrical quantum annulus. Numerical calculation on CdS annulus system has been performed. Results reveal that the two different solutions of SSO mode distribute mainly at the inner or outer surfaces of the annulus. The dispersion relations and the coupling intensions of phonons in a quantum annulus are compared with those in a cylindrical quantum dot. It is found that the dispersion relations of the two different structures are similar, but the coupling intension of the phonon-electron interaction in quantum annulus is larger than that in quantum dot. The Hamiltonians describing the free phonon modes and their interactions with electrons in the system are also derived.
文摘Using an expression of optical conductivity,based on the linear response theory,the Green's function technique and within the Holstein Hamiltonian model,the effect of electron-phonon interaction on the optical conductivity of graphene plane is studied.It is found that the electron-phonon coupling increases the optical conductivity of graphene sheet in the low frequency region due to decreasing quasiparticle weight of electron excitation while the optical conductivity reduces in the high frequency region.The latter is due to role of electrical field's frequency.
基金financially supported by the National Natural Science Foundation of China(Nos.51720105007,52076031 and 51806031)the Fundamental Research Funds for the Central Universities(No.DUT19RC(3)006)the computing resources from Super-computing Center of Dalian University of Technology。
文摘XB_(2)(X=Mg and Al)compounds have drawn great attention for their superior electronic characteristics and potential applications in semiconductors and superconductors.The study of phonon thermal transport properties of XB_(2)is significant to their application and mechanism behind research.In this work,the phonon thermal transport properties of three-dimensional(3D)and two-dimensional(2D)XB_(2)were studied by first-principles calculations.After considering the electron-phonon interaction(EPI),the thermal conductivities(TCs)of 3D Mg B_(2)and 3D Al B_(2)decrease by 29%and 16%which is consistent with experimental values.Moreover,the underlying mechanisms of reduction on lattice TCs are the decrease in phonon lifetime and heat capacity when considering quantum confinement effect.More importantly,we are surprised to find that there is a correlation between quantum confinement effect and EPI.The quantum confinement will change the phonon and electron characteristics which has an impact on EPI.Overall,our work is expected to provide insights into the phonon thermal transport properties of XB_(2)compounds considering EPI and quantum confinement effect.
文摘A new non-perturbative method is used to discuss the persistent current in a one-dimensional mesoscopic ring threaded by a flux φ with electron-phonon interaction in the lattice model. The current is periodic in φ with a flux quantum φ 0 and the electron-phonon interaction suppresses the persistent current. By considering the contributions of many-phonon correlations, we could obtain more accurate results.
基金The project supported by the Science and Technology Project of Adwnced Academy of Guangzhou City under Grant No. 2060, National Natural Science Foundation of China under Grant Nos. 60276004 and 60390073, and the Scientific Research Foundation for the Returned 0verseas Chinese Scholars of the Ministry of Education of China
文摘Within the framework of the dielectric continuum model and Loudon ＇s uniaxial crystal model, the properties of frequency dispersion of the propagating （PR） optical phonon modes and the coupling functions of electron-PR phonons interaction in an asymmetrical wurtzite quantum well （QW） are deduced and analyzed via the method of electrostatic potential expanding. Numerical calculation on an asymmetrical Alo.25Gao.75N/GaN/Alo.15Gao.ssN wurtzite QW were performed. The results reveal that there are infinite branches of PR phonon modes in the systems. The behaviors of frequency forbidden of PR modes in the asymmetric QWs have been clearly observed. The mathematical and physical origins for these features have been analyzed in depth. The PR optical phonon branches have been distinguished and labelled reasonably in terms of the oscillating properties of the PR modes in the well-layer material. Moreover, the amplitudes and frequency properties of the electron-PR modes coupling functions in the barrier and well materials have also been analyzed from both of the mathematical and physical viewpoints.
基金supported by the National Basic Research Program of China(Grant Nos.2011CBA00112 and 2012CB921701)
文摘Electron-phonon coupling （EPC） in cuprate and iron-based superconducting systems, as revealed by Raman scat- tering, is briefly reviewed. We introduce how to extract the coupling information through phonon lineshape. Then we discuss the strength of EPC in different high-temperature superconductor （HTSC） systems and possible factors affecting the strength. A comparative study between Raman phonon theories and experiments allows us to gain insight into some crucial electronic properties, especially superconductivity. Finally, we summarize and compare EPC in the two existing HTSC systems, and discuss what role it may play in the HTSC.
基金Project supported by the Fundamental Research Funds for the Central Universities of China(Nos.D5000230066 and D5000210117)the Natural Science Basic Research Plan in Shaanxi Province of China(No.2022JQ-358)。
文摘The electron-phonon interaction can reveal the microscopic mechanism of heat transfer in metals.The two-step heat conduction considering electron-phonon interaction has become an effective theoretical model for extreme environments,such as micro-scale and ultrafast processes.In this work,the two-step heat transfer model is further extended by considering the Burgers heat conduction model with the secondorder heat flux rate for electrons.Then,a novel generalized electron-phonon coupling thermoelasticity is proposed with the Burgers electronic heat transfer.Then,the problem of one-dimensional semi-infinite copper strip subject to a thermal shock at one side is studied by the Burgers two-step(BTS)model.The thermoelastic analytical solutions are systematically derived in the Laplace domain,and the numerical Laplace inversion method is adopted to obtain the transient responses.The new model is compared with the parabolic two-step(PTS)model and the hyperbolic two-step(HTS)model.The results show that in ultrafast heating,the BTS model has the same wave front jump as the HTS model.The present model has the faster wave speed,and predicts the bigger disturbed regions than the HTS model.More deeply,all two-step models also have the faster wave speeds than one-step models.This work may benefit the theoretical modeling of ultrafast heating of metals.
文摘By means of improved ligand-field theory, the ＂pure electronic＂ pressure-induced shift （PS） and the PS due to electron-phonon interaction （EPI） of R-line of MgO：Cr^3＋ have been calculated, respectively. The calculated results are in very good agreement with the experimental data. The behaviors of the pure electronic PS of R-line of MgO：Cr^3＋ and the PS of its R-line due to EPI are different. It is the combined effect of them that gives rise to the total PS of R-line, which has satisfactorily explained the experimental results. The comparison between the feature of R-line PS of MgO：Cr^3＋ and that of R1-line PS of ruby has been made.
文摘We present our theoretical investigations on the effects of disorder on the electron-phonon interaction in semiconducting GaAs system. Both the temperature (T) and disorder (electron mean free path l) dependences of the electron-phonon scattering rate have been determined. On consideration of the dynamic screening, we find a significant change in the temperature exponent as well as the pre factor from the earlier reported temperature power law dependence result ?T6 obtained under static screening. Also the dynamic screening makes a noticeable change in the character of the dependence of scattering rate on the mean free path from the static screening result.
基金supported by the National Natural Science Foundation of China (Nos. T2322003, 52172146)the Fundamental Research Funds for the Central Universities (No. 2242024K40017)Shuangchuang Talent of Jiangsu Province (No. JSSCRC2021506)。
文摘Halide perovskites have attracted great interest as active layers in optoelectronic devices. Among perovskites with diverse compositions, α-FAPbI_(3) is of utmost importance with great optoelectronic properties and a decent bandgap of 1.48 eV.However, the α-phase suffers an irreversible transition to the photo-inactive δ-phase, whereas the δ-phase is usually regarded as useless phase with poor optoelectronic properties. Therefore, it is commonly accepted that the thermodynamic stable δ-FAPbI_(3) greatly limits the application of FAPbI_(3). Every coin has two sides, although the δ-phase is difficult to apply as photoelectrical active layers, it is possible to combine δ-FAPbI_(3) with α-FAPbI_(3) to realize functional applications. Firstly, this review analyzes the cause of the contrasting properties between α-and δ-FAPbI_(3), where the stronger electron-phonon coupling in 1D hexagonal δ-FAPbI_(3) restricts its internal carrier and phonon transport. Secondly, the factors affecting the phase transitions and strategies to control phase transition between α-and δ-FAPbI_(3) are presented. Finally, some functional applications of δ-FAPbI_(3) in combination with α-FAPbI_(3) are given according to previous reports. By and large, we hope to introduce δ-FAPbI_(3) from another perspective and give some insights into its unique properties, hopefully providing new strategies for the subsequent advances to FAPbI_(3).
基金supported by the“National Key R&D Program of China”,the National Science Foundation of China(Grant No.22209201)Natural Science Foundation of Shandong Province(ZR2022QF044)Future Plans of Young Scholars at Shandong University.
文摘Enhancing the stability of piezoelectric properties is essential for ensuring the reliability of high-temperature piezoelectric sensors.In this study,we have synthesized AlN piezoelectric crystals as representative materials and employed first-principles methods to investigate their temperature-dependent piezoelectric properties.By integrating the effects of lattice expansion and electron–phonon interactions,we accurately constructed the crystal structure of AlN across a wide temperature range and successfully predicted its piezoelectric behavior.Theoretical analysis reveals that ion polarization driven by lattice distortion and elastic softening of chemical bonds maintains the overall structural integrity of defect-free AlN single crystals,resulting in a stable piezoelectric coefficient d33 with a deviation of only 8.55%at temperatures up to 1300 K.However,experimental results indicate that the stability of the piezoelectric performance of the grown AlN crystals is disrupted at temperatures above 870 K.This temperature limitation is attributed to point defects within AlN crystals,particularly those caused by oxygen-substituted nitrogen(ON).These findings provide valuable guidance for enhancing the piezoelectric temperature stability of AlN crystals through optimized experimental conditions,such as oxygen atmosphere treatment and defect modification during crystal growth.
基金support from the Regional Innovation Cooperation Project of the Sichuan Science and Technology Program(No.2024YFHZ0204)the National Key Research and Development Program of China(No.2022YFB3803900)the Innovation Research Program of Sichuan University(No.2020SCUNL112).
文摘The relatively lower performance of n-type legs has significantly hindered the application of PbTe ma-terials in medium-temperature thermoelectric(TE)power generation,underscoring the urgent need to enhance the TE performance of n-type PbTe.In this study,electron-phonon decoupling was achieved through the precise manipulation of a single copper-doping element in PbTe(i.e.,Pb_(1.005-x)Cu_(2 x+0.003)Te),enabling the concurrent optimization of phonon transport and electrical properties.High-content Cu dop-ing induced substantial lattice strain and abundant precipitates,which effectively scattered heat-carrying phonons and significantly reduced lattice thermal conductivity.Simultaneously,the retention of high mo-bility and the self-regulation of electron concentration improved electrical performance across a broad temperature range.As a result,an impressive average zT of 1.3 was achieved from 523 to 823 K in n-type Pb_(0.985)Cu_(0.043)Te.Building on this,a seven-pair TE module was fabricated,attaining an energy conversion efficiency of∼8%under a temperature difference of 420 K.This work provides fresh insights into strate-gies for enhancing the TE performance of n-type PbTe.
基金the National"973"Project of China(Grant No.2007CB6103)
文摘A new variational-ansatz of states of electrons and phonons was proposed on the basis of the Holstein model in strongly coupled electron-phonon systems for studying the influence of nonadiabatic phonon fluctuation,arising from the motion and density fluctuation of electrons,on the properties of ground state,uncertainty relation,stability of polarons,charge density wave(CDW)and phonon staggered ordering.The new ansatz represents the correlation among the displacement and squeezing states of phonons and polaron’s state of electrons as well as the squeezing-antisqueezing effect.The correlation and squeezing-antisqueezing ef-fect result in the decrease of ground state energy,enhancement of stability of the systems,increase of binding energy of the polarons,weakening of the growing speed of polaron narrowing of the electron band,increase of the charge density wave order and suppression of the increased tendency of anomalous quantum fluctuation of the phonons in such a case,when compared with the uncorrelated case in the systems.The results obtained show that the ground state determined by the new state ansatz is most stable,thus the new ansatz describing the properties of the coupled electron phonon systems is very relevant and available,especially in strongly coupled and largely squeezed cases.
