We study theoretically the interracial electronic property of a heterojunction made from two Mott insulators （MI） with different magnetic structures. By means of unrestricted Hartree-Fock calculations in real space,...We study theoretically the interracial electronic property of a heterojunction made from two Mott insulators （MI） with different magnetic structures. By means of unrestricted Hartree-Fock calculations in real space, we find that a charge dipole can form spontaneously near the interface of the MI/MI heterojunction. The magnitude of this charge dipole depends strongly on the magnetic states of both sides of the heterojunction. Combining with the result from an exactly solvable two-site toy model, we argue that the interface dipole arises from exchange effects as well as its asymmetry intrinsic to the heterojunction near the interface. Our study may shed light on the fabrication of ultrathin ferroelectric and magnetoelectric devices.展开更多
Gd-doped HfO2 has drawn worldwide interest for its interesting features. It is considered to be a suitable material for N-type metal-oxide-semiconductor （MOS） devices due to a negative flatband voltage （Vfb） shift...Gd-doped HfO2 has drawn worldwide interest for its interesting features. It is considered to be a suitable material for N-type metal-oxide-semiconductor （MOS） devices due to a negative flatband voltage （Vfb） shift caused by the Gd doping. In this work, an anomalous positive shift was observed when Gd was doped into HfO2. The cause for such a phenomenon was systematically investigated by distinguishing the effects of different factors, such as Fermi level pinning （FLP）, a dipole at the dielectric/SiO2 interface, fixed interracial charge, and bulk charge, on Vfb. It was found that the FLP and interfacial dipole could make Vfb negatively shifted, which is in agreement with the conventional dipole theory. The increase in interfacial fixed charge resulting from Gd doping plays a major role in positive Vfb shift.展开更多
With the emergence of new materials for high-efficiency organic solar cells(OSCs),understanding and finetuning the interface energetics become increasingly important.Precise determination of the so-called pinning ener...With the emergence of new materials for high-efficiency organic solar cells(OSCs),understanding and finetuning the interface energetics become increasingly important.Precise determination of the so-called pinning energies,one of the critical characteristics of the material to predict the energy level alignment(ELA)at either electrode/organic or organic/organic interfaces,are urgently needed for the new materials.Here,pinning energies of a wide variety of newly developed donors and nonfullerene acceptors(NFAs)are measured through ultraviolet photoelectron spectroscopy.The positive pinning energies of the studied donors and the negative pinning energies of NFAs are in the same energy range of 4.3−4.6 eV,which follows the design rules developed for fullerene-based OSCs.The ELA for metal/organic and inorganic/organic interfaces follows the predicted behavior for all of the materials studied.For organic-organic heterojunctions where both the donor and the NFA feature strong intramolecular charge transfer,the pinning energies often underestimate the experimentally obtained interface vacuum level shift,which has consequences for OSC device performance.展开更多
A NiO/β-Ga_(2)O_(3) heterojunction-gate field effect transistor(HJ-FET)is fabricated and it_(s)instability mechanisms are exper-imentally investigated under different gate stress voltage(V_(G,s))and stress times(t_(s...A NiO/β-Ga_(2)O_(3) heterojunction-gate field effect transistor(HJ-FET)is fabricated and it_(s)instability mechanisms are exper-imentally investigated under different gate stress voltage(V_(G,s))and stress times(t_(s)).Two different degradation mechanisms of the devices under negative bias stress(NBS)are identified.At low V_(G,s)for a short t_(s),NiO bulk traps trapping/de-trapping elec-trons are responsible for decrease/recovery of the leakage current,respectively.At higher V_(G,s)or long t_(s),the device transfer char-acteristic curves and threshold voltage(V_(TH))are almost permanently negatively shifted.This is because the interface dipoles are almost permanently ionized and neutralize the ionized charges in the space charge region(SCR)across the heterojunction inter-face,resulting in a narrowing SCR.This provides an important theoretical guide to study the reliability of NiO/β-Ga_(2)O_(3) hetero-junction devices in power electronic applications.展开更多
Interfaces play critical roles in electronic devices and provide great diversity of film morphology and device performance.We retrospect the substrate mediated vacuum film growth of benchmark high mobility material 2,...Interfaces play critical roles in electronic devices and provide great diversity of film morphology and device performance.We retrospect the substrate mediated vacuum film growth of benchmark high mobility material 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene(C8-BTBT)and the interface electronic structures.The film growth of C8-BTBT molecules is diversified depending on the substrate-molecule and molecule-molecule interactions.On atomic smooth substrates C8-BTBT film grows in layer-by-layer mode while on coarse substrate it grows in islands mode.The initial molecular layer at dielectric,semiconductor and conductive substrates displays slight different lattice structure.The initial molecule orientation depends on the substrate and will gradually change to standing up configuration as in bulk phase.C8-BTBT behaves as electron donor when contacting with dielectric and stable conductive materials.This usually induces a dipole layer pointing to C8-BTBT and an upward bend bending in C8-BTBT side toward the interface.Although it is air stable,C8-BTBT is chemically reactive with some transition metals and compounds.The orientation change from lying down to standing up in the film usually leads to decrease of ionization potential.The article provides insights to the interface physical and chemical processes and suggestions for optimal design and fabrication of C8-BTBT based devices.展开更多
The formation of an electric dipole at the high-k/SiO2 interface is quantitatively analyzed. The band lineups and physical origin of dipole formation at the high-k/SiO2 interface are explained by the dielectric contac...The formation of an electric dipole at the high-k/SiO2 interface is quantitatively analyzed. The band lineups and physical origin of dipole formation at the high-k/SiO2 interface are explained by the dielectric contact induced gap states （DCIGS）. The charge neutrality level （CNL） of the DCIGS, which represents a distribution of high-k and SiO2 contact induced gap states, is utilized to study the dipole moment. The charge transfer due to different CNLs of high-k and SiO2 is considered as the dominant origin of dipole formation. The theoretically calculated dipole strengths ofhigh-k/SiO2 systems based on this model are in good agreement with the experimental data.展开更多
Single-walled carbon nanotubes （SWCNTs） illuminated by white light should appear colored due to resonance Rayleigh scattering. However, true-color imaging of SWCNTs on substrates has not been reported, because of th...Single-walled carbon nanotubes （SWCNTs） illuminated by white light should appear colored due to resonance Rayleigh scattering. However, true-color imaging of SWCNTs on substrates has not been reported, because of the extremely low scattering intensity of SWCNTs and the strong substrate scattering. Here we show that Rayleigh scattering can be greatly enhanced by the interface dipole enhancement effect. Consequently colorful SWCNTs on substrates can be directly imaged under an optical microscope by wide field supercontinuum laser illumination, which facilitates high throughput chirality assignment of individual SWCNTs. This approach, termed ＂Rayleigh imaging microscopy＂, is not restricted to SWCNTs, but widely applicable to a variety of nanomaterials, which enables the colorful nanoworld to be explored under optical microscopes.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant Nos 10574021, 90403011, and 10704016)
文摘We study theoretically the interracial electronic property of a heterojunction made from two Mott insulators （MI） with different magnetic structures. By means of unrestricted Hartree-Fock calculations in real space, we find that a charge dipole can form spontaneously near the interface of the MI/MI heterojunction. The magnitude of this charge dipole depends strongly on the magnetic states of both sides of the heterojunction. Combining with the result from an exactly solvable two-site toy model, we argue that the interface dipole arises from exchange effects as well as its asymmetry intrinsic to the heterojunction near the interface. Our study may shed light on the fabrication of ultrathin ferroelectric and magnetoelectric devices.
基金Project supported by the National Science and Technology Major Project of the Ministry of Science and Technology of China(Grant No.2009ZX02035)the National Natural Science of China(Grant Nos.61176091 and 50932001)
文摘Gd-doped HfO2 has drawn worldwide interest for its interesting features. It is considered to be a suitable material for N-type metal-oxide-semiconductor （MOS） devices due to a negative flatband voltage （Vfb） shift caused by the Gd doping. In this work, an anomalous positive shift was observed when Gd was doped into HfO2. The cause for such a phenomenon was systematically investigated by distinguishing the effects of different factors, such as Fermi level pinning （FLP）, a dipole at the dielectric/SiO2 interface, fixed interracial charge, and bulk charge, on Vfb. It was found that the FLP and interfacial dipole could make Vfb negatively shifted, which is in agreement with the conventional dipole theory. The increase in interfacial fixed charge resulting from Gd doping plays a major role in positive Vfb shift.
基金the financial support from the Swedish Research Council(project grants no.2016-05498,2016-05990,and 2020-04538)the Swedish Energy Agency(grant.no.45411-1)+1 种基金by the Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linköping University(Faculty Grant SFO Mat LiU no.200900971)support from the Wallenberg Wood Science Center(WWSC).
文摘With the emergence of new materials for high-efficiency organic solar cells(OSCs),understanding and finetuning the interface energetics become increasingly important.Precise determination of the so-called pinning energies,one of the critical characteristics of the material to predict the energy level alignment(ELA)at either electrode/organic or organic/organic interfaces,are urgently needed for the new materials.Here,pinning energies of a wide variety of newly developed donors and nonfullerene acceptors(NFAs)are measured through ultraviolet photoelectron spectroscopy.The positive pinning energies of the studied donors and the negative pinning energies of NFAs are in the same energy range of 4.3−4.6 eV,which follows the design rules developed for fullerene-based OSCs.The ELA for metal/organic and inorganic/organic interfaces follows the predicted behavior for all of the materials studied.For organic-organic heterojunctions where both the donor and the NFA feature strong intramolecular charge transfer,the pinning energies often underestimate the experimentally obtained interface vacuum level shift,which has consequences for OSC device performance.
基金supported by the Fundamental Strengthening Program Key Basic Research Project(Grant No.2021-173ZD-057).
文摘A NiO/β-Ga_(2)O_(3) heterojunction-gate field effect transistor(HJ-FET)is fabricated and it_(s)instability mechanisms are exper-imentally investigated under different gate stress voltage(V_(G,s))and stress times(t_(s)).Two different degradation mechanisms of the devices under negative bias stress(NBS)are identified.At low V_(G,s)for a short t_(s),NiO bulk traps trapping/de-trapping elec-trons are responsible for decrease/recovery of the leakage current,respectively.At higher V_(G,s)or long t_(s),the device transfer char-acteristic curves and threshold voltage(V_(TH))are almost permanently negatively shifted.This is because the interface dipoles are almost permanently ionized and neutralize the ionized charges in the space charge region(SCR)across the heterojunction inter-face,resulting in a narrowing SCR.This provides an important theoretical guide to study the reliability of NiO/β-Ga_(2)O_(3) hetero-junction devices in power electronic applications.
基金Project(2017YFA0206602)supported in part by the National Key Research and Development Program of China。
文摘Interfaces play critical roles in electronic devices and provide great diversity of film morphology and device performance.We retrospect the substrate mediated vacuum film growth of benchmark high mobility material 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene(C8-BTBT)and the interface electronic structures.The film growth of C8-BTBT molecules is diversified depending on the substrate-molecule and molecule-molecule interactions.On atomic smooth substrates C8-BTBT film grows in layer-by-layer mode while on coarse substrate it grows in islands mode.The initial molecular layer at dielectric,semiconductor and conductive substrates displays slight different lattice structure.The initial molecule orientation depends on the substrate and will gradually change to standing up configuration as in bulk phase.C8-BTBT behaves as electron donor when contacting with dielectric and stable conductive materials.This usually induces a dipole layer pointing to C8-BTBT and an upward bend bending in C8-BTBT side toward the interface.Although it is air stable,C8-BTBT is chemically reactive with some transition metals and compounds.The orientation change from lying down to standing up in the film usually leads to decrease of ionization potential.The article provides insights to the interface physical and chemical processes and suggestions for optimal design and fabrication of C8-BTBT based devices.
基金Project supported by the National Natural Science Foundation of China(No.61404093)the Doctoral Scientific Research Foundation of Weifang University(No.2014BS02)
文摘The formation of an electric dipole at the high-k/SiO2 interface is quantitatively analyzed. The band lineups and physical origin of dipole formation at the high-k/SiO2 interface are explained by the dielectric contact induced gap states （DCIGS）. The charge neutrality level （CNL） of the DCIGS, which represents a distribution of high-k and SiO2 contact induced gap states, is utilized to study the dipole moment. The charge transfer due to different CNLs of high-k and SiO2 is considered as the dominant origin of dipole formation. The theoretically calculated dipole strengths ofhigh-k/SiO2 systems based on this model are in good agreement with the experimental data.
基金The authors would like to thank Prof. Feng Wang, Prof. Xuedong Bai, and Prof. Kaihui Liu for helpful discussions. This work was supported by the National Basic Research Program of China （No. 2012CB932301） and the National Natural Science Foundation of China （Nos. 90921012, 11321091, 51102144, 11274190, and 51102147）.
文摘Single-walled carbon nanotubes （SWCNTs） illuminated by white light should appear colored due to resonance Rayleigh scattering. However, true-color imaging of SWCNTs on substrates has not been reported, because of the extremely low scattering intensity of SWCNTs and the strong substrate scattering. Here we show that Rayleigh scattering can be greatly enhanced by the interface dipole enhancement effect. Consequently colorful SWCNTs on substrates can be directly imaged under an optical microscope by wide field supercontinuum laser illumination, which facilitates high throughput chirality assignment of individual SWCNTs. This approach, termed ＂Rayleigh imaging microscopy＂, is not restricted to SWCNTs, but widely applicable to a variety of nanomaterials, which enables the colorful nanoworld to be explored under optical microscopes.
