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

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.

Reply to the ‘Comment on “High-temperature superconductivity in transition metallic hydrides MH11 (M = Mo, W, Nb, and Ta) under high pressure”’ by X. Zheng and J. Zheng, Phys. Chem. Chem. Phys., 2022, 24, DOI: 10.1039/D1CP01474A

2022 ◽  
Author(s):  
Mingyang Du ◽  
Zihan Zhang ◽  
Hao Song ◽  
Hongyu Yu ◽  
Tian Cui ◽  
...  
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Metal Hydride ◽  
High Temperature Superconductivity ◽  
Chem Phys ◽  
Phonon Coupling ◽  
Electron Phonon Coupling ◽  
Phys Chem Chem Phys

For the metal hydride MoH11, more than 60% of the electron–phonon coupling (λ) is contributed by hydrogen which leads to a diminishing role of the umklapp phonons.

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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