A 2D electron-longitudinal-acoustic-phonon interaction Hamiltonian is derived and used to calculate the groundstate energy of the acoustic polarons in two dimensions. The numerical results for the ground-state energy ...A 2D electron-longitudinal-acoustic-phonon interaction Hamiltonian is derived and used to calculate the groundstate energy of the acoustic polarons in two dimensions. The numerical results for the ground-state energy of the acoustic polarons in two and three dimensions are obtained. The 3D results agree with those obtained by using the Feynman path-integral approach. It is found that the critical coupling constant of the transition from the quasifree state to the self-trapped state in the 2D case is much smaller than in the 3D case for a given cutoff wave-vector. The theory has been used to judge the possibility of the self-trapping for several real materials. The results indicate that the self-trappings of the electrons in AlN and the holes in AlN and GaN are expected to be observed in 2D systems.展开更多
The ground-state energy and effective mass of an acoustic polaron in one dimension are calculated by using an electron-longitudinal-acoustic-phonon interaction Hamiltonian derived here. The self-trapping of the acoust...The ground-state energy and effective mass of an acoustic polaron in one dimension are calculated by using an electron-longitudinal-acoustic-phonon interaction Hamiltonian derived here. The self-trapping of the acoustic polaron is discussed. It is found that the critical coupling constant shifts toward weaker electron-phonon interaction with the increasing cutoff wave vector and the products of the critical coupling constant by the cutoff wave vector tend to a certain value. The self-trapping of acoustic polarons in one dimension is easier to be realized than that in three- and two-dimensional systems. The self-trapping transition of acoustic polarons is expected to be observed in the one dimensional systems of alkali halides and wide-band-gap semiconductors.展开更多
The energy and effective mass of a polaron in a parabolic quantum well are studied theoretically by using LLP-like transformations and a variational approach. Numerical results are presented for the polaron energy and...The energy and effective mass of a polaron in a parabolic quantum well are studied theoretically by using LLP-like transformations and a variational approach. Numerical results are presented for the polaron energy and effective mass in the GaAs/Al0.3Ga0.7As parabolic quantum well. The results show that the energy and the effective mass of the polaron both have their maxima in the finite parabolic quantum well but decrease monotonously in the infinite parabolic quantum well with the increasing well width. It is verified that the bulk longitudinal optical phonon mode approximation is an adequate formulation for the electron-phonon coupling in parabolic quantum well structures.展开更多
The binding energies of excitons in quantum well structures subjected to an applied uniform electric field by taking into account the exciton longitudinal optical phonon interaction is calculated. The binding energies...The binding energies of excitons in quantum well structures subjected to an applied uniform electric field by taking into account the exciton longitudinal optical phonon interaction is calculated. The binding energies and corresponding Stark shifts for Ⅲ-Ⅴ and Ⅱ-Ⅵ compound semiconductor quantum well structures have been numerically computed. The results for GaAs/A1GaAs and ZnCdSe/ZnSe quantum wells are given and discussed. Theoretical results show that the exciton-phonon coupling reduces both the exciton binding energies and the Stark shifts by screening the Coulomb interaction. This effect is observable experimentally and cannot be neglected.展开更多
In this paper the bulk exciton polaritons in ternary mixed crystals （TMCs） are investigated in the Born-Huang approximation. The numerical results of the polariton frequencies as functions of the wave-vector and the...In this paper the bulk exciton polaritons in ternary mixed crystals （TMCs） are investigated in the Born-Huang approximation. The numerical results of the polariton frequencies as functions of the wave-vector and the compositions for ternary mixed crystals AlxGa1-xAs, CdxZn1-xSe, and AlxGa1-xN are obtained and discussed. The new dispersion characteristics for exciton-polaritons in TMC systems are found in comparison with binary crystals. The splitting of the two branches of exciton-polariton frequencies varies nonlinearly with the composition of TMCs and has a minimum in the long-wavelength range.展开更多
The interface phonon-polaritons in quantum well systems consisting of polar ternary mixed crystals are investi-gated. The numerical results of the interface phonon-polariton frequencies in the GaAs/AlxGa1-xAs, ZnSxSe1...The interface phonon-polaritons in quantum well systems consisting of polar ternary mixed crystals are investi-gated. The numerical results of the interface phonon-polariton frequencies in the GaAs/AlxGa1-xAs, ZnSxSe1-x/ZnS, and ZnxCd1-xSe/ ZnSe quantum well systems are obtained and discussed. It is shown that there are six branches of interface phonon-polariton modes distributed in three bulk phonon-polariton forbidden bands in the systems. The electric fields of interface phonon polaritons are also presented and show the interface locality of the modes. The effects of the ＇two-mode＇ and ＇one-mode＇ behaviours of the ternary mixed crystals on the interface phonon-polariton modes are shown in the dispersion curves.展开更多
The electronic band structures, densities of states （DOSs）, and projected densities of states （PDOSs） of the wurtzite In1-xGaxN with x=0, 0.0625, 0.125 are studied using the generalized-gradient approximation （GG...The electronic band structures, densities of states （DOSs）, and projected densities of states （PDOSs） of the wurtzite In1-xGaxN with x=0, 0.0625, 0.125 are studied using the generalized-gradient approximation （GGA） and GGA＋U in density functional theory. Our calculations suggest that in the case of wurtzite InN it is important to apply an on-site Hubbard correction to both the d states of indium and the p states of nitrogen in order to recover the correct energy level symmetry and obtain a reliable description of the InN band structure. The method is used to study the electronic properties of the wurtzite In1-xGaxN. The conduction band minimum （CBM） energy increases, while the valence band maximum （VBM） energy decreases with the increase of the gallium concentration. The effect leads to broadening the band gap （BG） and the valence band width （VBW）. Furthermore, the compressive strain in the crystal can cause the BG and the VBW to increase with the increase of gallium concentrations.展开更多
Mechanical and magnetic properties of Rh in bcc, fcc structures and RhH in cubic structure are investigated by using first-principles calculations. Theoretical strengths of these structures are given for the first tim...Mechanical and magnetic properties of Rh in bcc, fcc structures and RhH in cubic structure are investigated by using first-principles calculations. Theoretical strengths of these structures are given for the first time. The results show that the NaCl-type cubic RhH has a lower bulk modulus and a theoretical strength larger than those of Rh in bcc and fcc structures. A strong magneto-volume effect of a transition from low magnetic moment-low cell volume＇＇ to high magnetic moment-large cell volume＇＇ is also found for both the bcc and fcc Rh structures as well as RhH.展开更多
We study the effects of electron-phonon interaction on the electron ground state in a symmetric triangular quantum well, and calculate the ground state energy of an electron in the GaAs/Al0.96Ga0.04As triangular quant...We study the effects of electron-phonon interaction on the electron ground state in a symmetric triangular quantum well, and calculate the ground state energy of an electron in the GaAs/Al0.96Ga0.04As triangular quantum well including the effects of the interaction between electrons and confined LO phonons by using a modified Lee-Low-Pines variational method. The electron wavefunction in the triangular well is chosen as the Airy function. The numerical results are given and discussed.展开更多
Based on ab initio total energy calculations, the structural, electronic, mechanic, and magnetic properties of PdHx are investigated. It is found that bulk modulus of PdHx is larger than the metM Pd with the hydrogen ...Based on ab initio total energy calculations, the structural, electronic, mechanic, and magnetic properties of PdHx are investigated. It is found that bulk modulus of PdHx is larger than the metM Pd with the hydrogen storage except Pd4H2. The calculated results for the magnetic moments show that the hydrogen addition weakens the magnetic properties of the PdHx systems. A strong magneto-volume effect is found in PdHx structures as well as Pd. The transition from paramagnetism to ferromagnetism is discussed. The corresponding densities of states for both structures are also shown to understand the magnetic behaviour.展开更多
The eigenprobtems of spin waves in a symmetrical ferromagnetic bilayered system with periodic boundary conditions are solved using the interface-rescaling approach （IRA）. The results show that interface coupling bet...The eigenprobtems of spin waves in a symmetrical ferromagnetic bilayered system with periodic boundary conditions are solved using the interface-rescaling approach （IRA）. The results show that interface coupling between two sublayers would not change the excitation energy of odd bulk modes, but change excitation energy of even bulk modes. We call this peculiar phenomenon the phenomenon of even bulk mode variance （PEBMV）. There are two kinds of mechanisms which cause PEBMV： phase reversal and phase translation of the magnon at the interface, corresponding, respectively, to the antiferromagnetic and ferromagnetic interface coupling cases. PEBMV embodies the selective effect of the interface on different bulk magnons.展开更多
基金supported by Dalian Nationalities University Science Foundation for Youths(2007A210)PhD Progress Foundation of Higher Education Institutions of China(20040126003)~~
基金Project supported partly by PhD Progress Foundation of Higher Education Institutions of China(20040126003)the Natural Science Foundation of Inner Mongol of China(200408020101)~~
基金Project supported by the Doctoral Program Foundation of Institutions of Higher Education China （Grant No 20040126003） and the Natural Science Foundation of Inner Mongol of China （Grant No 200408020101）.
文摘A 2D electron-longitudinal-acoustic-phonon interaction Hamiltonian is derived and used to calculate the groundstate energy of the acoustic polarons in two dimensions. The numerical results for the ground-state energy of the acoustic polarons in two and three dimensions are obtained. The 3D results agree with those obtained by using the Feynman path-integral approach. It is found that the critical coupling constant of the transition from the quasifree state to the self-trapped state in the 2D case is much smaller than in the 3D case for a given cutoff wave-vector. The theory has been used to judge the possibility of the self-trapping for several real materials. The results indicate that the self-trappings of the electrons in AlN and the holes in AlN and GaN are expected to be observed in 2D systems.
基金Supported by the PhD Progress Foundation of Higher Education of China under Grant No 20040126003, and the Natural Science Foundation of Inner Mongol of China under Grant No 200408020101.
文摘The ground-state energy and effective mass of an acoustic polaron in one dimension are calculated by using an electron-longitudinal-acoustic-phonon interaction Hamiltonian derived here. The self-trapping of the acoustic polaron is discussed. It is found that the critical coupling constant shifts toward weaker electron-phonon interaction with the increasing cutoff wave vector and the products of the critical coupling constant by the cutoff wave vector tend to a certain value. The self-trapping of acoustic polarons in one dimension is easier to be realized than that in three- and two-dimensional systems. The self-trapping transition of acoustic polarons is expected to be observed in the one dimensional systems of alkali halides and wide-band-gap semiconductors.
基金Supported by the National Natural Science Foundation of China under Grant No 10164003, and the Natural Science Foundation of Inner Mongol of China under Grant No 200408020101.
文摘The energy and effective mass of a polaron in a parabolic quantum well are studied theoretically by using LLP-like transformations and a variational approach. Numerical results are presented for the polaron energy and effective mass in the GaAs/Al0.3Ga0.7As parabolic quantum well. The results show that the energy and the effective mass of the polaron both have their maxima in the finite parabolic quantum well but decrease monotonously in the infinite parabolic quantum well with the increasing well width. It is verified that the bulk longitudinal optical phonon mode approximation is an adequate formulation for the electron-phonon coupling in parabolic quantum well structures.
基金Project supported in part by the National Natural Science Foundation of China （Grant No 10164003） and the Natural Science Foundation of Inner Mongol of China （Grant No 200408020101）.
文摘The binding energies of excitons in quantum well structures subjected to an applied uniform electric field by taking into account the exciton longitudinal optical phonon interaction is calculated. The binding energies and corresponding Stark shifts for Ⅲ-Ⅴ and Ⅱ-Ⅵ compound semiconductor quantum well structures have been numerically computed. The results for GaAs/A1GaAs and ZnCdSe/ZnSe quantum wells are given and discussed. Theoretical results show that the exciton-phonon coupling reduces both the exciton binding energies and the Stark shifts by screening the Coulomb interaction. This effect is observable experimentally and cannot be neglected.
基金Project supported partly by PhD Progress Foundation of Higher Education Institutions of China （Grant No 20040126003） and the Natural Science Foundation of Inner Mongol of China （Grant No 200408020101）.
文摘In this paper the bulk exciton polaritons in ternary mixed crystals （TMCs） are investigated in the Born-Huang approximation. The numerical results of the polariton frequencies as functions of the wave-vector and the compositions for ternary mixed crystals AlxGa1-xAs, CdxZn1-xSe, and AlxGa1-xN are obtained and discussed. The new dispersion characteristics for exciton-polaritons in TMC systems are found in comparison with binary crystals. The splitting of the two branches of exciton-polariton frequencies varies nonlinearly with the composition of TMCs and has a minimum in the long-wavelength range.
基金supported partly by the National Natural Science Foundation of China (Grant Nos.10764003 and 10947179)
文摘The interface phonon-polaritons in quantum well systems consisting of polar ternary mixed crystals are investi-gated. The numerical results of the interface phonon-polariton frequencies in the GaAs/AlxGa1-xAs, ZnSxSe1-x/ZnS, and ZnxCd1-xSe/ ZnSe quantum well systems are obtained and discussed. It is shown that there are six branches of interface phonon-polariton modes distributed in three bulk phonon-polariton forbidden bands in the systems. The electric fields of interface phonon polaritons are also presented and show the interface locality of the modes. The effects of the ＇two-mode＇ and ＇one-mode＇ behaviours of the ternary mixed crystals on the interface phonon-polariton modes are shown in the dispersion curves.
基金Project supported by the National Natural Science Foundation of China(Grant No.50971094)the Natural Science Foundation of Beijing,China(Grant Nos.KZ201310028032 and 1092007)the Domestic Visiting Program for the Graduate Students of Inner Mongolia University,China
文摘The electronic band structures, densities of states （DOSs）, and projected densities of states （PDOSs） of the wurtzite In1-xGaxN with x=0, 0.0625, 0.125 are studied using the generalized-gradient approximation （GGA） and GGA＋U in density functional theory. Our calculations suggest that in the case of wurtzite InN it is important to apply an on-site Hubbard correction to both the d states of indium and the p states of nitrogen in order to recover the correct energy level symmetry and obtain a reliable description of the InN band structure. The method is used to study the electronic properties of the wurtzite In1-xGaxN. The conduction band minimum （CBM） energy increases, while the valence band maximum （VBM） energy decreases with the increase of the gallium concentration. The effect leads to broadening the band gap （BG） and the valence band width （VBW）. Furthermore, the compressive strain in the crystal can cause the BG and the VBW to increase with the increase of gallium concentrations.
基金Supported by the National Natural Science Foundation of China under Grant No 10764003.
文摘Mechanical and magnetic properties of Rh in bcc, fcc structures and RhH in cubic structure are investigated by using first-principles calculations. Theoretical strengths of these structures are given for the first time. The results show that the NaCl-type cubic RhH has a lower bulk modulus and a theoretical strength larger than those of Rh in bcc and fcc structures. A strong magneto-volume effect of a transition from low magnetic moment-low cell volume＇＇ to high magnetic moment-large cell volume＇＇ is also found for both the bcc and fcc Rh structures as well as RhH.
基金Supported by the Specialized Research Fund for the Doctoral Programme of Higher Education of China under Grant No 20040126003, and the Natural Science Foundation of Inner Mongol of China under Grant No 200408020101.
文摘We study the effects of electron-phonon interaction on the electron ground state in a symmetric triangular quantum well, and calculate the ground state energy of an electron in the GaAs/Al0.96Ga0.04As triangular quantum well including the effects of the interaction between electrons and confined LO phonons by using a modified Lee-Low-Pines variational method. The electron wavefunction in the triangular well is chosen as the Airy function. The numerical results are given and discussed.
基金supported by the National Natural Science Foundation of China (Grant No. 10764003)
文摘Based on ab initio total energy calculations, the structural, electronic, mechanic, and magnetic properties of PdHx are investigated. It is found that bulk modulus of PdHx is larger than the metM Pd with the hydrogen storage except Pd4H2. The calculated results for the magnetic moments show that the hydrogen addition weakens the magnetic properties of the PdHx systems. A strong magneto-volume effect is found in PdHx structures as well as Pd. The transition from paramagnetism to ferromagnetism is discussed. The corresponding densities of states for both structures are also shown to understand the magnetic behaviour.
基金Project supported by the Foundation for Key Program of Ministry of Education,China (Grant No 206024)National Natural Science Foundation of China (Grant No 10762001)+2 种基金Program for New Century Excellent Talents in University of China (Grant NoNCET-05-0272)the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No 20040126003)Natural Science Foundation of Inner Mongolia Autonomous Region,China (Grant No 200711020109)
文摘The eigenprobtems of spin waves in a symmetrical ferromagnetic bilayered system with periodic boundary conditions are solved using the interface-rescaling approach （IRA）. The results show that interface coupling between two sublayers would not change the excitation energy of odd bulk modes, but change excitation energy of even bulk modes. We call this peculiar phenomenon the phenomenon of even bulk mode variance （PEBMV）. There are two kinds of mechanisms which cause PEBMV： phase reversal and phase translation of the magnon at the interface, corresponding, respectively, to the antiferromagnetic and ferromagnetic interface coupling cases. PEBMV embodies the selective effect of the interface on different bulk magnons.
