Based on the phenomena that the deformation gap was observed before the great Tangshang earthquake, this paper discusses the strain gap according to test and theory. The (strain) patterns were recorded photographicall...Based on the phenomena that the deformation gap was observed before the great Tangshang earthquake, this paper discusses the strain gap according to test and theory. The (strain) patterns were recorded photographically by real-time holographic interferometry and shadow optical method of caustics, as soon as the loading process started. In the meantime, the AE (acoustic emission) signals were recorded by a micro crack information storage-analysis sys-tem. According to damage theory and location of micro fracture, we have studied the stain gap and gained: a) It is necessary that strain gap appears under the condition of linear elasticity theory, and its situation is relatively stable, corresponding to stress concentration. b) Micro fractures, which appear initially at area of high stress, occur rarely at the strain gap, and their locations are finally in the zone between the stress concentration area and the strain gap, which indicate the clusters or groups. However, the major macro fracture (final rupture) started from the shadow areas, and then grew quickly towards the strain gaps, which resulted in failure of sample.展开更多
The effect of triaxial strains on the band gap of wurtzite ZnO has been investigated by the first principles calculations. The results indicate that, after application of triaxial strain, the wurtzite ZnO is still a d...The effect of triaxial strains on the band gap of wurtzite ZnO has been investigated by the first principles calculations. The results indicate that, after application of triaxial strain, the wurtzite ZnO is still a direct band gap semiconductor with conduction- and valence-band minima remains at the F point. Comparing with the unstrained ZnO, the Eg at F point increases under compressive strain but decreases under tensile strain. This triaxial strain model is in better agreement with the experimental results than the widely-employed in-plane biaxial strain model, thus providing a more accurate explanation on the behaviors of ZnO thin film under threedimensional strain.展开更多
Our density functional theory calculations show that the energy gap of bilayer α-graphyne can be modulated by a vertically applied electric field and interlayer strain. Like bilayer graphene, the bilayer α-graphyne ...Our density functional theory calculations show that the energy gap of bilayer α-graphyne can be modulated by a vertically applied electric field and interlayer strain. Like bilayer graphene, the bilayer α-graphyne has electronic properties that are hardly changed under purely mechanical strain, while an external electric field can open the gap up to 120 meV. It is of special interest that compressive strain can further enlarge the field induced gap up to 160 meV, while tensile strain reduces the gap. We attribute the gap variation to the novel interlayer charge redistribution between bilayer α-graphynes.These findings shed light on the modulation of Dirac cone structures and potential applications of graphyne in mechanicalelectric devices.展开更多
Hexagonal GaN epilayer grown on sapphire substrate by metal organic chemical vapour deposition （MOCVD） is studied using Raman scattering and photoluminescence in a temperature range from 100K to 873 K. The model of ...Hexagonal GaN epilayer grown on sapphire substrate by metal organic chemical vapour deposition （MOCVD） is studied using Raman scattering and photoluminescence in a temperature range from 100K to 873 K. The model of strain （stress） induced by the different lattice parameters and thermal coefficients of epilayer and substrate as a function of temperature is set up. The frequency and the linewidth of E2^high mode in a GaN layer are modelled by a theory with considering the thermal expansion of the lattice, a symmetric decay of the optical phonons, and the strain （stress） in the layer. The temperature-dependent energy shift of free exeiton A is determined by using Varshni empirical relation, and the effect of strain （stress） is also investigated. We find that the strain in the film leads to a decreasing shift of the phonon frequency and an about 10meV-inereasing shift of the energy in a temperature range from 100 K to 823 K.展开更多
The QSH edge channels can be used to connect dissipationless nanoelectronic devices, when the topological edge states and the bulk states have the perfectly spaced. But the monolayer 1T’-WTe<sub>2</sub> b...The QSH edge channels can be used to connect dissipationless nanoelectronic devices, when the topological edge states and the bulk states have the perfectly spaced. But the monolayer 1T’-WTe<sub>2</sub> bulk state is metallic nature, with edge channel lengths around 100 nm, which hinders its further study. By simulating the different terminational edge states, using the GGA-1/2 method to calculate, we found a stable terminational edge state. And under strain engineering, fixed the a-axis, the band gap gradually increases with the b-axis tensile. When the tensile to 2.9%, the band gap increases to 245 meV. It greatly improves the application of 1T’-WTe<sub>2</sub>. During the phase transition of the material from half-metal to insulator, the topology of edge states remains unchanged, showing strong robustness. Thus introducing strain can make 1T’-WTe<sub>2</sub> a suitable material for fundamental research or topological electronic devices.展开更多
The strain effects of the Zn1-xMgxO substrate on the bands structure of wurtzite Nb-doped Zn O bulk materials have been investigated using fi rst-principles calculations based on density functional theory. Firstly, th...The strain effects of the Zn1-xMgxO substrate on the bands structure of wurtzite Nb-doped Zn O bulk materials have been investigated using fi rst-principles calculations based on density functional theory. Firstly, the band gap increases gradually with increasing Nb contents in unstrained Nb-doped Zn O, which is consistent with the experimental results. Secondly, the band gap decreases with increasing substrate stress in Nb-doped Zn O/Zn1-xMgxO. Splitting energies between HHB（Heavy Hole Band） and LHB（Light Hole Band）, HHB and CSB（Crystal Splitting Band） in Zn0.9167Nb0.0833O/Zn1-xMgxO almost remain unchanged with increasing substrate stress, while decrease slightly in Zn0.875Nb0.125O/Zn1-xMgxO. In addition, detailed analysis of the strain effects on the effective masses of electron and hole in Nb-doped Zn O/Zn1-xMgxO is also given.展开更多
Lacking a band gap largely limits the application of graphene in electronic devices. Previous study shows that grain boundaries （GBs） in polycrystalline graphene can dra- matically alter the electrical properties of...Lacking a band gap largely limits the application of graphene in electronic devices. Previous study shows that grain boundaries （GBs） in polycrystalline graphene can dra- matically alter the electrical properties of graphene. Here, we investigate the band structure of polycrystalline graphene tuned by externally imposed strains and intrinsic mismatch strains at the GB by density functional theory （DFT） calcu- lations. We found that graphene with symmetrical GBs typ- ically has zero band gap even with large uniaxial and biax- ial strain. However, some particular asymmetrical GBs can open a band gap in graphene and their band structures can be substantially tuned by external strains. A maximum band gap about 0.19 eV was observed in matched-armchair GB （5, 5） I （3, 7） with a misorientation of θ = 13° when the applied uniaxial strain increases to 9%. Although mismatch strain is inevitable in asymmetrical GBs, it has a small influence on the band gap of polycrystalline graphene.展开更多
The electronic structures of (CdSe)n/(ZnSe)m strained-lager soperfattice (SLS) were investigated by the recursion method in the tight-bindiop opproximation. The total,local, and partial density of states were calculat...The electronic structures of (CdSe)n/(ZnSe)m strained-lager soperfattice (SLS) were investigated by the recursion method in the tight-bindiop opproximation. The total,local, and partial density of states were calculated for n=1, m=5.The total density of states (TDOS) for bulk CdSe, ZnSe and n=1, 3, m=1, 3, 5, for SLS were investigated.Fermi energy, the band gap, the valence of an atom, and the ionization potential and the electron affinity were discassed.展开更多
基金The Dual Project of China Seismological Bureau (9691309020301) the Specialized Funds for National Key Basic Study (G1998040704) the project for the MOST under contract (2001BA601B02) and Youth Funds for applied basic study of the Science and Technolo
文摘Based on the phenomena that the deformation gap was observed before the great Tangshang earthquake, this paper discusses the strain gap according to test and theory. The (strain) patterns were recorded photographically by real-time holographic interferometry and shadow optical method of caustics, as soon as the loading process started. In the meantime, the AE (acoustic emission) signals were recorded by a micro crack information storage-analysis sys-tem. According to damage theory and location of micro fracture, we have studied the stain gap and gained: a) It is necessary that strain gap appears under the condition of linear elasticity theory, and its situation is relatively stable, corresponding to stress concentration. b) Micro fractures, which appear initially at area of high stress, occur rarely at the strain gap, and their locations are finally in the zone between the stress concentration area and the strain gap, which indicate the clusters or groups. However, the major macro fracture (final rupture) started from the shadow areas, and then grew quickly towards the strain gaps, which resulted in failure of sample.
基金Funded by the Hebei Provincial Natural Science Foundation(Nos.E2011210009, E2009000901, B2012210004)Hebei Province Education Department Project(No.2009155)
文摘The effect of triaxial strains on the band gap of wurtzite ZnO has been investigated by the first principles calculations. The results indicate that, after application of triaxial strain, the wurtzite ZnO is still a direct band gap semiconductor with conduction- and valence-band minima remains at the F point. Comparing with the unstrained ZnO, the Eg at F point increases under compressive strain but decreases under tensile strain. This triaxial strain model is in better agreement with the experimental results than the widely-employed in-plane biaxial strain model, thus providing a more accurate explanation on the behaviors of ZnO thin film under threedimensional strain.
基金Project supported by the National Key Basic Research Program of China(Grant Nos.2013CB932604 and 2012CB933403)the National Natural Science Foundation of China(Grant Nos.51472117 and 51535005)+2 种基金the Research Fund of State Key Laboratory of Mechanics and Control of Mechanical Structures,China(Grant No.0414K01)the Nanjing University of Aeronautics and Astronautics(NUAA)Fundamental Research Funds,China(Grant No.NP2015203)the Priority Academic Program Development of Jiangsu Higher Education Institutions
文摘Our density functional theory calculations show that the energy gap of bilayer α-graphyne can be modulated by a vertically applied electric field and interlayer strain. Like bilayer graphene, the bilayer α-graphyne has electronic properties that are hardly changed under purely mechanical strain, while an external electric field can open the gap up to 120 meV. It is of special interest that compressive strain can further enlarge the field induced gap up to 160 meV, while tensile strain reduces the gap. We attribute the gap variation to the novel interlayer charge redistribution between bilayer α-graphynes.These findings shed light on the modulation of Dirac cone structures and potential applications of graphyne in mechanicalelectric devices.
基金Project supported by the National Natural Science Foundation of China (Grant Nos 50405025 and 50535030)Program for New Century Excellent Talents in University, China
文摘Hexagonal GaN epilayer grown on sapphire substrate by metal organic chemical vapour deposition （MOCVD） is studied using Raman scattering and photoluminescence in a temperature range from 100K to 873 K. The model of strain （stress） induced by the different lattice parameters and thermal coefficients of epilayer and substrate as a function of temperature is set up. The frequency and the linewidth of E2^high mode in a GaN layer are modelled by a theory with considering the thermal expansion of the lattice, a symmetric decay of the optical phonons, and the strain （stress） in the layer. The temperature-dependent energy shift of free exeiton A is determined by using Varshni empirical relation, and the effect of strain （stress） is also investigated. We find that the strain in the film leads to a decreasing shift of the phonon frequency and an about 10meV-inereasing shift of the energy in a temperature range from 100 K to 823 K.
文摘The QSH edge channels can be used to connect dissipationless nanoelectronic devices, when the topological edge states and the bulk states have the perfectly spaced. But the monolayer 1T’-WTe<sub>2</sub> bulk state is metallic nature, with edge channel lengths around 100 nm, which hinders its further study. By simulating the different terminational edge states, using the GGA-1/2 method to calculate, we found a stable terminational edge state. And under strain engineering, fixed the a-axis, the band gap gradually increases with the b-axis tensile. When the tensile to 2.9%, the band gap increases to 245 meV. It greatly improves the application of 1T’-WTe<sub>2</sub>. During the phase transition of the material from half-metal to insulator, the topology of edge states remains unchanged, showing strong robustness. Thus introducing strain can make 1T’-WTe<sub>2</sub> a suitable material for fundamental research or topological electronic devices.
基金Funded by the National Natural Science Foundation of China(Nos.61334003,61162025,60776034)
文摘The strain effects of the Zn1-xMgxO substrate on the bands structure of wurtzite Nb-doped Zn O bulk materials have been investigated using fi rst-principles calculations based on density functional theory. Firstly, the band gap increases gradually with increasing Nb contents in unstrained Nb-doped Zn O, which is consistent with the experimental results. Secondly, the band gap decreases with increasing substrate stress in Nb-doped Zn O/Zn1-xMgxO. Splitting energies between HHB（Heavy Hole Band） and LHB（Light Hole Band）, HHB and CSB（Crystal Splitting Band） in Zn0.9167Nb0.0833O/Zn1-xMgxO almost remain unchanged with increasing substrate stress, while decrease slightly in Zn0.875Nb0.125O/Zn1-xMgxO. In addition, detailed analysis of the strain effects on the effective masses of electron and hole in Nb-doped Zn O/Zn1-xMgxO is also given.
基金supported by the National Natural Science Foundation of China(11021262 and 11023001)MOST 973 of China(2012CB937500)
文摘Lacking a band gap largely limits the application of graphene in electronic devices. Previous study shows that grain boundaries （GBs） in polycrystalline graphene can dra- matically alter the electrical properties of graphene. Here, we investigate the band structure of polycrystalline graphene tuned by externally imposed strains and intrinsic mismatch strains at the GB by density functional theory （DFT） calcu- lations. We found that graphene with symmetrical GBs typ- ically has zero band gap even with large uniaxial and biax- ial strain. However, some particular asymmetrical GBs can open a band gap in graphene and their band structures can be substantially tuned by external strains. A maximum band gap about 0.19 eV was observed in matched-armchair GB （5, 5） I （3, 7） with a misorientation of θ = 13° when the applied uniaxial strain increases to 9%. Although mismatch strain is inevitable in asymmetrical GBs, it has a small influence on the band gap of polycrystalline graphene.
文摘The electronic structures of (CdSe)n/(ZnSe)m strained-lager soperfattice (SLS) were investigated by the recursion method in the tight-bindiop opproximation. The total,local, and partial density of states were calculated for n=1, m=5.The total density of states (TDOS) for bulk CdSe, ZnSe and n=1, 3, m=1, 3, 5, for SLS were investigated.Fermi energy, the band gap, the valence of an atom, and the ionization potential and the electron affinity were discassed.
