scholarly journals Electron-phonon coupling and exchange-correlation effects in superconductingH3Sunder high pressure

2015 ◽  
Vol 92 (20) ◽  
Author(s):  
Matej Komelj ◽  
Henry Krakauer
Keyword(s):  
High Pressure ◽  
Correlation Effects ◽  
Phonon Coupling ◽  
Exchange Correlation ◽  
Electron Phonon Coupling

Chemical Bonding, Electron−Phonon Coupling, and Structural Transformations in High-Pressure Phases of Si†

2006 ◽  
Vol 110 (8) ◽  
pp. 3721-3726 ◽  
Author(s):  
John S. Tse ◽  
Dennis D. Klug ◽  
Serguei Patchkovskii ◽  
Yanming Ma ◽  
J. K. Dewhurst
Keyword(s):  
High Pressure ◽  
Chemical Bonding ◽  
Structural Transformations ◽  
Phonon Coupling ◽  
Electron Phonon Coupling ◽  
Bonding Electron

ELECTRONIC CORRELATIONS AND ELECTRON-PHONON COUPLING IN C60

1993 ◽  
Vol 07 (15) ◽  
pp. 2859-2884 ◽  
Author(s):  
MARKKU I. SALKOLA ◽  
SUDIP CHAKRAVARTY ◽  
STEVEN A. KIVELSON
Keyword(s):  
Single Molecule ◽  
Phonon Spectrum ◽  
Correlation Effects ◽  
Phonon Coupling ◽  
Teller Distortion ◽  
Electron Phonon Coupling ◽  
Jahn Teller ◽  
Infrared Intensities ◽  
Doubly Charged ◽  
Jahn Teller Distortion

We study a model of a single molecule of C 60 to obtain an understanding of the interplay between the electron-electron and electron-phonon interactions in these molecules. In particular, we calculate the intramolecular phonon spectrum, infrared intensities, and the Raman intensities. We also find that when correlation effects are sufficiently strong, the Jahn-Teller distortion of the doubly charged molecule is suppressed. Thus, if the correlation effects are strong, the superconductivity in doped C 60 cannot be mediated by intra-molecular Jahn-Teller phonons.

Electron-phonon coupling in high-pressure Nb

2004 ◽  
Vol 69 (13) ◽  
Author(s):  
John S. Tse ◽  
Zhiqiang Li ◽  
Kentaro Uehara ◽  
Yanming Ma ◽  
Rajeev Ahuja
Keyword(s):  
High Pressure ◽  
Phonon Coupling ◽  
Electron Phonon Coupling

Pressure-induced phase transition, metallization and superconductivity in ZrS2

2018 ◽  
Vol 20 (36) ◽  
pp. 23656-23663 ◽  
Author(s):  
Hang Zhai ◽  
Zhen Qin ◽  
Dan Sun ◽  
Jianyun Wang ◽  
Chang Liu ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Phonon Coupling ◽  
Band Structures ◽  
Electronic Band ◽  
Electron Phonon Coupling ◽  
Electronic Band Structures ◽  
Stable Structures

The high-pressure thermodynamically stable structures of ZrS2 have been extensively identified using an effective CALYPSO algorithm. Our theoretical electronic band structures and electron–phonon coupling unravel the occurrence of pressure-induced metallization and superconductivity in ZrS2.

Superconductivity of lithium-doped hydrogen under high pressure

2014 ◽  
Vol 70 (2) ◽  
pp. 104-111 ◽  
Author(s):  
Yu Xie ◽  
Quan Li ◽  
Artem R. Oganov ◽  
Hui Wang
Keyword(s):  
Density Functional Theory ◽  
High Pressure ◽  
Fermi Level ◽  
Density Of States ◽  
Lattice Dynamics ◽  
Density Functional ◽  
Phonon Coupling ◽  
Critical Temperatures ◽  
Functional Theory ◽  
Electron Phonon Coupling

The high-pressure lattice dynamics and superconductivity of newly proposed lithium hydrides (LiH2, LiH6and LiH8) have been extensively studied using density functional theory. The application of the Allen–Dynes modified McMillan equation and electron–phonon coupling calculations show that LiH6and LiH8are superconductors with critical temperatures (Tc) of 38 K at 150 GPa for LiH6and 31 K at 100 GPa for LiH8, while LiH2is not a superconductor. TheTcof LiH6increases rapidly with pressure and reaches 82 K at 300 GPa due to enhancement of the electron–phonon coupling and the increased density of states at the Fermi level, while theTcof LiH8remains almost constant.

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