Ab initio calculations of the deformation potentials for intervalley phonon-assisted transitions in AIIIBV crystals with sphalerite structure

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Abstract

Completely self-consistent ab initio calculations of scattering of electrons between the lowest minima of the conduction band by short-wavelength phonons are performed for the first time for a group of AIIIBV semiconductor crystals. The structure constants, electron and vibrational spectra, and probabilities of scattering are calculated for the crystals from unified positions within the electronic density functional method. The theory does not involve any phenomenological assumptions on positions of minima in the conduction band, effective carrier masses, interatomic forces, or scattering probabilities. The electron-phonon coupling constants (the deformation potentials) for actual Γ-X, Γ-L, and X-L transitions for scattering between the nonequivalent X-X and L-L valleys in the conduction bands of AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, and InSb crystals with sphalerite structure are calculated. Results obtained are compared with theoretical calculations within the phenomenological rigid ion model and with those performed by the selfconsistent frozen phonon method.

Original languageEnglish
Pages (from-to)742-748
Number of pages7
JournalRussian Physics Journal
Volume52
Issue number7
DOIs
Publication statusPublished - Dec 2009

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zincblende
conduction bands
scattering
crystals
interatomic forces
electrons
vibrational spectra
valleys
phonons
electronics
wavelengths
ions

Keywords

  • Binary semiconductors
  • Density functional method
  • Electron-phonon Interaction
  • Self-consistent calculations

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

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title = "Ab initio calculations of the deformation potentials for intervalley phonon-assisted transitions in AIIIBV crystals with sphalerite structure",
abstract = "Completely self-consistent ab initio calculations of scattering of electrons between the lowest minima of the conduction band by short-wavelength phonons are performed for the first time for a group of AIIIBV semiconductor crystals. The structure constants, electron and vibrational spectra, and probabilities of scattering are calculated for the crystals from unified positions within the electronic density functional method. The theory does not involve any phenomenological assumptions on positions of minima in the conduction band, effective carrier masses, interatomic forces, or scattering probabilities. The electron-phonon coupling constants (the deformation potentials) for actual Γ-X, Γ-L, and X-L transitions for scattering between the nonequivalent X-X and L-L valleys in the conduction bands of AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, and InSb crystals with sphalerite structure are calculated. Results obtained are compared with theoretical calculations within the phenomenological rigid ion model and with those performed by the selfconsistent frozen phonon method.",
keywords = "Binary semiconductors, Density functional method, Electron-phonon Interaction, Self-consistent calculations",
author = "Nikitina, {Larisa Nikolaevna} and Obukhov, {S. V.} and Tyuterev, {V. G.}",
year = "2009",
month = "12",
doi = "10.1007/s11182-009-9289-1",
language = "English",
volume = "52",
pages = "742--748",
journal = "Russian Physics Journal",
issn = "1064-8887",
publisher = "Consultants Bureau",
number = "7",

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TY - JOUR

T1 - Ab initio calculations of the deformation potentials for intervalley phonon-assisted transitions in AIIIBV crystals with sphalerite structure

AU - Nikitina, Larisa Nikolaevna

AU - Obukhov, S. V.

AU - Tyuterev, V. G.

PY - 2009/12

Y1 - 2009/12

N2 - Completely self-consistent ab initio calculations of scattering of electrons between the lowest minima of the conduction band by short-wavelength phonons are performed for the first time for a group of AIIIBV semiconductor crystals. The structure constants, electron and vibrational spectra, and probabilities of scattering are calculated for the crystals from unified positions within the electronic density functional method. The theory does not involve any phenomenological assumptions on positions of minima in the conduction band, effective carrier masses, interatomic forces, or scattering probabilities. The electron-phonon coupling constants (the deformation potentials) for actual Γ-X, Γ-L, and X-L transitions for scattering between the nonequivalent X-X and L-L valleys in the conduction bands of AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, and InSb crystals with sphalerite structure are calculated. Results obtained are compared with theoretical calculations within the phenomenological rigid ion model and with those performed by the selfconsistent frozen phonon method.

AB - Completely self-consistent ab initio calculations of scattering of electrons between the lowest minima of the conduction band by short-wavelength phonons are performed for the first time for a group of AIIIBV semiconductor crystals. The structure constants, electron and vibrational spectra, and probabilities of scattering are calculated for the crystals from unified positions within the electronic density functional method. The theory does not involve any phenomenological assumptions on positions of minima in the conduction band, effective carrier masses, interatomic forces, or scattering probabilities. The electron-phonon coupling constants (the deformation potentials) for actual Γ-X, Γ-L, and X-L transitions for scattering between the nonequivalent X-X and L-L valleys in the conduction bands of AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, and InSb crystals with sphalerite structure are calculated. Results obtained are compared with theoretical calculations within the phenomenological rigid ion model and with those performed by the selfconsistent frozen phonon method.

KW - Binary semiconductors

KW - Density functional method

KW - Electron-phonon Interaction

KW - Self-consistent calculations

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U2 - 10.1007/s11182-009-9289-1

DO - 10.1007/s11182-009-9289-1

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JO - Russian Physics Journal

JF - Russian Physics Journal

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