407 citations · 2.3k across the 74 of their papers we have counts for
9 papers · 1 filter
Signature of topological band crossing in ferromagnetic Cr1/3NbSe2 epitaxial thin film
Bruno Kenichi Saika, Satoshi Hamao, Yuki Majima +14
In intercalated transition metal dichalcogenides (I-TMDC), transition metal intercalation introduces magnetic phases which in some cases induce topological band crossing. However,…
Magnetic interactions in intercalated transition metal dichalcogenides: a study based on ab initio model construction
Tatsuto Hatanaka, Takuya Nomoto, Ryotaro Arita
Transition metal dichalcogenides (TMDs) are known to have a wide variety of magnetic structures by hosting other transition metal atoms in the van der Waals gaps. To understand the…
Local density of states as a probe for tunneling magnetoresistance effect: application to ferrimagnetic tunnel junctions
Katsuhiro Tanaka, Takuya Nomoto, Ryotaro Arita
We investigate the tunneling magnetoresistance (TMR) effect using the lattice models which describe the magnetic tunnel junctions (MTJ). First, taking a conventional ferromagnetic…
Development of method for exciton condensation and its application to
Hsiao-Yi Chen, Takuya Nomoto, Ryotaro Arita
Exciton condensation indicating the spontaneous formation of electron-hole pair can cause the phase transition from a semimetal to an excitonic insulator by gap opening at the Ferm…
Efficient hydrogen evolution reaction due to topological polarization
Ming-Chun Jiang, Guang-Yu Guo, Motoaki Hirayama +3
Materials carrying topological surface states (TSS) provide a fascinating platform for the hydrogen evolution reaction (HER). Based on systematic first-principles calculations for…
sparse-ir: optimal compression and sparse sampling of many-body propagators
Markus Wallerberger, Samuel Badr, Shintaro Hoshino +13
We introduce sparse-ir, a collection of libraries to efficiently handle imaginary-time propagators, a central object in finite-temperature quantum many-body calculations. We levera…
Quantum and temperature effects on crystal structure of superhydride: A path integral molecular dynamics study
Yuta Watanabe, Takuya Nomoto, Ryotaro Arita
By classical and path-integral molecular dynamics simulations, we study the pressure-temperature (-) phase diagram of LaH to clarify the impact of temperature and atom…
Ab initio structural optimization at finite temperatures based on anharmonic phonon theory: Application to the structural phase transitions of BaTiO
Ryota Masuki, Takuya Nomoto, Ryotaro Arita +1
We formulate a first-principle scheme for structural optimization at finite temperature () based on the self-consistent phonon (SCP) theory, which accurately takes into account…
Generation of modulated magnetic structure based on cluster multipole: Application to -Mn and CoS
Yuki Yanagi, Hiroaki Kusunose, Takuya Nomoto +2
We present a systematic method to automatically generate symmetry-adapted magnetic structures for given crystal structure and general propagation vector k as an efficient approach…