Literature DB >> 26551127

Fröhlich Electron-Phonon Vertex from First Principles.

Carla Verdi1, Feliciano Giustino1.   

Abstract

We develop a method for calculating the electron-phonon vertex in polar semiconductors and insulators from first principles. The present formalism generalizes the Fröhlich vertex to the case of anisotropic materials and multiple phonon branches, and can be used either as a postprocessing correction to standard electron-phonon calculations, or in conjunction with ab initio interpolation based on maximally localized Wannier functions. We demonstrate this formalism by investigating the electron-phonon interactions in anatase TiO(2), and show that the polar vertex significantly reduces the electron lifetimes and enhances the anisotropy of the coupling. The present work enables ab initio calculations of carrier mobilities, lifetimes, mass enhancement, and pairing in polar materials.

Entities:  

Year:  2015        PMID: 26551127     DOI: 10.1103/PhysRevLett.115.176401

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  12 in total

1.  Electron mean-free-path filtering in Dirac material for improved thermoelectric performance.

Authors:  Te-Huan Liu; Jiawei Zhou; Mingda Li; Zhiwei Ding; Qichen Song; Bolin Liao; Liang Fu; Gang Chen
Journal:  Proc Natl Acad Sci U S A       Date:  2018-01-16       Impact factor: 11.205

2.  When band convergence is not beneficial for thermoelectrics.

Authors:  Junsoo Park; Maxwell Dylla; Yi Xia; Max Wood; G Jeffrey Snyder; Anubhav Jain
Journal:  Nat Commun       Date:  2021-06-08       Impact factor: 14.919

3.  Mobility enhancement in heavily doped semiconductors via electron cloaking.

Authors:  Jiawei Zhou; Hangtian Zhu; Qichen Song; Zhiwei Ding; Jun Mao; Zhifeng Ren; Gang Chen
Journal:  Nat Commun       Date:  2022-05-06       Impact factor: 17.694

4.  Ab Initio Approach to Second-order Resonant Raman Scattering Including Exciton-Phonon Interaction.

Authors:  Yannick Gillet; Stefan Kontur; Matteo Giantomassi; Claudia Draxl; Xavier Gonze
Journal:  Sci Rep       Date:  2017-08-04       Impact factor: 4.379

5.  Origin of the crossover from polarons to Fermi liquids in transition metal oxides.

Authors:  Carla Verdi; Fabio Caruso; Feliciano Giustino
Journal:  Nat Commun       Date:  2017-06-08       Impact factor: 14.919

6.  Spin-phonon relaxation from a universal ab initio density-matrix approach.

Authors:  Junqing Xu; Adela Habib; Sushant Kumar; Feng Wu; Ravishankar Sundararaman; Yuan Ping
Journal:  Nat Commun       Date:  2020-06-03       Impact factor: 14.919

7.  Electron-phonon coupling in hybrid lead halide perovskites.

Authors:  Adam D Wright; Carla Verdi; Rebecca L Milot; Giles E Eperon; Miguel A Pérez-Osorio; Henry J Snaith; Feliciano Giustino; Michael B Johnston; Laura M Herz
Journal:  Nat Commun       Date:  2016-05-26       Impact factor: 14.919

8.  Crossover from lattice to plasmonic polarons of a spin-polarised electron gas in ferromagnetic EuO.

Authors:  J M Riley; F Caruso; C Verdi; L B Duffy; M D Watson; L Bawden; K Volckaert; G van der Laan; T Hesjedal; M Hoesch; F Giustino; P D C King
Journal:  Nat Commun       Date:  2018-06-13       Impact factor: 14.919

9.  Large thermoelectric power factor from crystal symmetry-protected non-bonding orbital in half-Heuslers.

Authors:  Jiawei Zhou; Hangtian Zhu; Te-Huan Liu; Qichen Song; Ran He; Jun Mao; Zihang Liu; Wuyang Ren; Bolin Liao; David J Singh; Zhifeng Ren; Gang Chen
Journal:  Nat Commun       Date:  2018-04-30       Impact factor: 14.919

10.  Ab initio electron-two-phonon scattering in GaAs from next-to-leading order perturbation theory.

Authors:  Nien-En Lee; Jin-Jian Zhou; Hsiao-Yi Chen; Marco Bernardi
Journal:  Nat Commun       Date:  2020-03-30       Impact factor: 14.919

View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.