6 papers
High-Tc Superconductivity in Functionalized Out-of-Plane Ordered Double Transition Metal MXenes
Mohammad Keivanloo, Fateme Dinmohammad, Shashi B. Mishra +10
Two-dimensional (2D) superconductors attracted growing interest in condensed-matter physics research. In this work, we explore the superconducting properties of surface-functionali…
Nonadiabatic and anharmonic effects in high-pressure H3S and D3S superconductors
Shashi B. Mishra, Elena R. Margine
Superconductivity in compressed H3S arises from the interplay between high-frequency phonons and a pronounced van Hove singularity near the Fermi level. Using first-principles calc…
Comparative study of phonon-limited carrier transport in the Weyl semimetal TaAs family
Shashi B. Mishra, Zhe Liu, Sabyasachi Tiwari +2
We present a systematic first-principles study of phonon-limited transport in the TaAs family of Weyl semimetals using the ab initio Boltzmann transport equation. The calculated el…
Cubic BeB: A metastable -type conductive material from first principles
Xiao Zhang, Shashi Mishra, Elena R. Margine +1
Boron forms a wide variety of compounds with alkaline earth elements due to its unique bonding characteristics. Among these, binary compounds of Be and B display particularly rich…
Electron-phonon vertex correction effect in superconducting H3S
Shashi B. Mishra, Hitoshi Mori, Elena R. Margine
The Migdal-Eliashberg (ME) formalism provides a reliable framework for describing phonon-mediated superconductivity in the adiabatic regime, where the electronic Fermi energy excee…
Phonon-limited carrier transport in the Weyl semimetal TaAs
Zhe Liu, Shashi B. Mishra, Jae-Mo Lihm +2
Topological Weyl semimetals represent a novel class of quantum materials that exhibit remarkable properties arising from their unique electronic structure. In this work, we employ…