Linear-Response Calculation of the Electron-Phonon Coupling in Doped CaCuO2

1996 ◽  
Vol 77 (21) ◽  
pp. 4430-4433 ◽  
Author(s):  
S. Y. Savrasov ◽  
O. K. Andersen
Keyword(s):  
Linear Response ◽  
Phonon Coupling ◽  
Electron Phonon Coupling

scholarly journals Linear-Response Calculations of Electron-Phonon Coupling Parameters and Free Energies of Defects

1995 ◽  
Vol 408 ◽  
Author(s):  
Andrew A. Quong ◽  
Amy Y. Liu
Keyword(s):  
Linear Response ◽  
Harmonic Approximation ◽  
Linear Response Theory ◽  
Real Space ◽  
Vibrational Properties ◽  
Phonon Coupling ◽  
Free Energies ◽  
Electron Phonon Coupling ◽  
Coupling Parameters ◽  
Average Electron

AbstractLinear-response theory provides an efficient approach for calculating the vibrational properties of solids. Moreover, because the use of supercells is eliminated, points with little or no symmetry in the Brillouin zone can be handled. This allows accurate determinations of quantities such as real-space force constants and electron-phonon coupling parameters. We present highly converged calculations of the spectral function α2F(ω) and the average electron-phonon coupling for Al, Pb, and Li. We also present results for the free energy of vacancy formation in Al calculated within the harmonic approximation.

A First-Principles Study of Electron-Phonon Coupling of OsB2

2014 ◽  
Vol 597 ◽  
pp. 113-116
Author(s):  
Yue Qin Wang ◽  
Juan Gao ◽  
Shao Ping Yan
Keyword(s):  
Transition Temperature ◽  
First Principles ◽  
Linear Response ◽  
Lattice Dynamics ◽  
Superhard Material ◽  
Superconducting Transition ◽  
Phonon Coupling ◽  
Phonon Modes ◽  
Electron Phonon Coupling ◽  
Coulomb Pseudopotential

We investigated the lattice dynamics and electron-phonon coupling (EPC) of superhard material OsB2by first-principles linear response calculations. The calculated EPC parameters for the optical phonon modes at Г indicate that the heavy Os atoms play the most important role in deciding the superconducting behavior, and there are sizeable contributions from lighter B atoms to EPC. Our calculated EPC constant is 0.42, and the estimated superconducting transition temperatureTcis 2.1 K using the Coulomb pseudopotentialμ*=0.125, in excellent agreement with the experimental ones.

scholarly journals Pressure dependence of electron-phonon coupling and superconductivity in hcp Fe: A linear response study

2003 ◽  
Vol 67 (21) ◽  
Author(s):  
S. K. Bose ◽  
O. V. Dolgov ◽  
J. Kortus ◽  
O. Jepsen ◽  
O. K. Andersen
Keyword(s):  
Pressure Dependence ◽  
Linear Response ◽  
Phonon Coupling ◽  
Electron Phonon Coupling

Observation of Core Phonon in Electron–Phonon Coupling in Au25 Nanoclusters

2021 ◽  
Vol 12 (6) ◽  
pp. 1690-1695
Author(s):  
Zhongyu Liu ◽  
Yingwei Li ◽  
Wonyong Shin ◽  
Rongchao Jin
Keyword(s):  
Phonon Coupling ◽  
Electron Phonon Coupling

scholarly journals Electron-phonon coupling in the magnetic Weyl semimetal ZrCo2Sn

2021 ◽  
Vol 103 (2) ◽  
Author(s):  
I.Yu. Sklyadneva ◽  
R. Heid ◽  
P. M. Echenique ◽  
E. V. Chulkov
Keyword(s):  
Phonon Coupling ◽  
Weyl Semimetal ◽  
Electron Phonon Coupling
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