Wannier interpolation of the electron-phonon matrix elements in polar semiconductors: Polar-optical coupling in GaAs

被引:139
作者
Sjakste, J. [1 ]
Vast, N. [1 ]
Calandra, M. [2 ]
Mauri, F. [2 ]
机构
[1] Paris Saclay Univ, Ecole Polytech, CEA DSM IRAMIS, Lab Solides Irradies,CNRS UMR 7642, F-91120 Palaiseau, France
[2] Univ Paris 06, Sorbonne Univ, IMPMC, UMR CNRS 7590,MNHN,IRD, F-75005 Paris, France
关键词
INTERVALLEY SCATTERING; TEMPERATURE-DEPENDENCE; MICROSCOPIC THEORY; CRITICAL-POINTS; AB-INITIO; PRESSURE; POTENTIALS;
D O I
10.1103/PhysRevB.92.054307
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We generalize the Wannier interpolation of the electron-phonon matrix elements to the case of polar-optical coupling in polar semiconductors. We verify our methodological developments against experiments, by calculating the widths of the electronic bands due to electron-phonon scattering in GaAs, the prototype polar semiconductor. The calculated widths are then used to estimate the broadenings of excitons at critical points in GaAs and the electron-phonon relaxation times of hot electrons. Our findings are in good agreement with available experimental data. Finally, we demonstrate that while the Frohlich interaction is the dominant scattering process for electrons/holes close to the valley minima, in agreement with low-field transport results, at higher energies, the intervalley scattering dominates the relaxation dynamics of hot electrons or holes. The capability of interpolating the polar-optical coupling opens new perspectives in the calculation of optical absorption and transport properties in semiconductors and thermoelectrics.
引用
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页数:8
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共 44 条
[1]   CALCULATED OPTICAL-PROPERTIES OF SEMICONDUCTORS [J].
ALOUANI, M ;
BREY, L ;
CHRISTENSEN, NE .
PHYSICAL REVIEW B, 1988, 37 (03) :1167-1179
[2]  
[Anonymous], 2004, Nanostructures: Theory and Modeling(NanoScience and Technology), DOI DOI 10.1007/978-3-662-08903-3.52B
[3]   Phonons and related crystal properties from density-functional perturbation theory [J].
Baroni, S ;
de Gironcoli, S ;
Dal Corso, A ;
Giannozzi, P .
REVIEWS OF MODERN PHYSICS, 2001, 73 (02) :515-562
[4]   GREEN-FUNCTION APPROACH TO LINEAR RESPONSE IN SOLIDS [J].
BARONI, S ;
GIANNOZZI, P ;
TESTA, A .
PHYSICAL REVIEW LETTERS, 1987, 58 (18) :1861-1864
[5]   Ab Initio Study of Hot Carriers in the First Picosecond after Sunlight Absorption in Silicon [J].
Bernardi, Marco ;
Vigil-Fowler, Derek ;
Lischner, Johannes ;
Neaton, Jeffrey B. ;
Louie, Steven G. .
PHYSICAL REVIEW LETTERS, 2014, 112 (25)
[6]   Phonon anharmonicities in graphite and graphene [J].
Bonini, Nicola ;
Lazzeri, Michele ;
Marzari, Nicola ;
Mauri, Francesco .
PHYSICAL REVIEW LETTERS, 2007, 99 (17)
[7]   Ab initio calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices -: art. no. 216803 [J].
Botti, S ;
Vast, N ;
Reining, L ;
Olevano, V ;
Andreani, LC .
PHYSICAL REVIEW LETTERS, 2002, 89 (21)
[8]   Electron-phonon coupling and electron self-energy in electron-doped graphene: Calculation of angular-resolved photoemission spectra [J].
Calandra, Matteo ;
Mauri, Francesco .
PHYSICAL REVIEW B, 2007, 76 (20)
[9]   Charge-Density Wave and Superconducting Dome in TiSe2 from Electron-Phonon Interaction [J].
Calandra, Matteo ;
Mauri, Francesco .
PHYSICAL REVIEW LETTERS, 2011, 106 (19)
[10]   Adiabatic and nonadiabatic phonon dispersion in a Wannier function approach [J].
Calandra, Matteo ;
Profeta, Gianni ;
Mauri, Francesco .
PHYSICAL REVIEW B, 2010, 82 (16)