639 citations · 2.3k across the 35 of their papers we have counts for
4 papers · 1 filter
Possible "Magnéli" phases and self-alloying in the superconducting sulfur hydride
Ryosuke Akashi, Wataru Sano, Ryotaro Arita +1
We theoretically give an infinite number of metastable crystal structures for the superconducting sulfur hydride HS under pressure. It has been thought that theoretically pre…
Self-consistent phonon calculations of lattice dynamical properties in cubic SrTiO with first-principles anharmonic force constants
Terumasa Tadano, Shinji Tsuneyuki
We present an \textit{ab initio} framework to calculate anharmonic phonon frequency and phonon lifetime that is applicable to severely anharmonic systems. We employ self-consistent…
First-principles study of the pressure and crystal-structure dependences of the superconducting transition temperature in compressed sulfur hydrides
Ryosuke Akashi, Mitsuaki Kawamura, Shinji Tsuneyuki +2
We calculate superconducting transition temperatures () in sulfur hydrides HS and HS from first principles using the density functional theory for supercondu…
Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study
Terumasa Tadano, Yoshihiro Gohda, Shinji Tsuneyuki
We investigate the role of rattling guest atoms on the lattice thermal-conductivity of a type-I clathrate BaGaGe by first-principles lattice dynamics. Comparing…