1.3k citations · 1.9k across the 26 of their papers we have counts for
9 papers · 1 filter
Lattice dynamics and its effects on magnetocrystalline anisotropy energy of pristine and hole-doped YCo from first principles
Guangzong Xing, Yoshio Miura, Terumasa Tadano
We study the lattice dynamics effects on the phase stability and magnetocrystalline anisotropy (MCA) energy of CaCu-type YCo at finite temperatures using first-principles c…
Descriptors of intrinsic hydrodynamic thermal transport: screening a phonon database in a machine learning approach
Pol Torres, Stephen Wu, Shenghong Ju +4
Machine learning techniques are used to explore the intrinsic origins of the hydrodynamic thermal transport and to find new materials interesting for science and engineering. The h…
Anharmonic Grüneisen theory based on self-consistent phonon theory: Impact of phonon-phonon interaction neglected in the quasiharmonic theory
Ryota Masuki, Takuya Nomoto, Ryotaro Arita +1
We formulate a theory of thermal expansion based on the self-consistent phonon (SCP) theory, which nonperturbatively considers the anharmonic effect. We show that the Grünseisen fo…
Crucial role of interfacial - exchange interaction in the temperature dependence of tunnel magnetoresistance
Keisuke Masuda, Terumasa Tadano, Yoshio Miura
The tunnel magnetoresistance (TMR) is one of the most important spintronic phenomena but its reduction at finite temperature is a severe drawback for applications. Here, we reveal…
Ab initio Derivation of Low-Energy Hamiltonians for Systems with Strong Spin-Orbit Interaction and Its Application to Ca5Ir3O12
Maxime Charlebois, Jean-Baptiste Morée, Kazuma Nakamura +7
We present an ab initio derivation method for effective low-energy Hamiltonians of material with strong spin-orbit interactions. The effective Hamiltonian is described in terms of…
First-Principles Phonon Quasiparticle Theory Applied to a Strongly Anharmonic Halide Perovskite
Terumasa Tadano, Wissam A. Saidi
Understanding and predicting lattice dynamics in strongly anharmonic crystals is one of the long-standing challenges in condensed matter physics. Here we propose a first-principles…