T. Tsumuraya

activity

20132022

most citedCation Dependence of the Electronic States in Molecular Triangular Lattice System β'-X[Pd(dmit)_2]_2: A First-principles study

32 citations · 36 across the 2 of their papers we have counts for

collaborators

9 papers

cond-mat.str-el2022★ 4 cited

A Monomer Mott Insulator (BEDT-TTF)Cu[N(CN) $_{2}$ ] $_{2}$ as a Potential Nodal Line System

N. Yoneyama, M. K. Nuryadin, T. Tsumuraya +6

We report the band structure calculations and the experimental results of resistivity and magnetic susceptibility in a spin-1/2 (BEDT-TTF) $^{∙+}$ monomer Mott insulator (BED…

cond-mat.mtrl-sci2020

Origin of phase stability in Fe with long-period stacking order as an intermediate phase in cyclic $γ$ - $ε$ martensitic transformation

Takao Tsumuraya, Ikumu Watanabe, Takahiro Sawaguchi

A class of Fe-Mn-Si-based alloys exhibits a reversible martensitic transformation between the $γ$ phase with a face-centered cubic~(fcc) structure and an $ε$ phase with a hexagonal…

cond-mat.str-el2020

First-principles study of the effective Hamiltonian for Dirac fermions with spin-orbit coupling in two-dimensional molecular conductor $α$ -(BETS) $_{2}$ I $_{3}$

Takao Tsumuraya, Yoshikazu Suzumura

We employed first-principles density-functional theory (DFT) calculations to characterize Dirac electrons in quasi-two-dimensional molecular conductor $α$ -(BETS) $_{2}$ I $_{3}$ [= $α$ -(B…

cond-mat.str-el2020

Ambient pressure Dirac electron system in quasi-two-dimensional molecular conductor $α$ -(BETS) $_{2}$ I $_{3}$

Shunsuke Kitou, Takao Tsumuraya, Hikaru Sawahata +5

We investigated the precise crystal structures and electronic states in a quasi-two-dimensional molecular conductor $α$ -(BETS) $_{2}$ I $_{3}$ at ambient pressure. The electronic resistiv…

cond-mat.str-el2020

Electronic Correlation and Geometrical Frustration in Molecular Solids -- A Systematic ab initio Study of $β^{'}$ - $X$ [Pd(dmit) $_{2}$ ] $_{2}$

Takahiro Misawa, Kazuyoshi Yoshimi, Takao Tsumuraya

We systematically derive low-energy effective Hamiltonians for molecular solids $β^{'}$ - $X$ [Pd(dmit) $_{2}$ ] $_{2}$ ( $X$ represents a cation) using ab initio density functional th…

cond-mat.str-el2019

First-principles study of the charge ordered phase in $κ$ -D $_{3}$ (Cat-EDT-TTF/ST) $_{2}$ : Stability of $π$ -electron deuterium coupled ordering in hydrogen-bonded molecular conductors

Takao Tsumuraya, Hitoshi Seo, Tsuyoshi Miyazaki

We study the electronic and structural properties of the low-temperature ordered phase of hydrogen-bonded molecular conductors, $κ$ -D $_{3}$ (Cat-EDT-TTF) $_{2}$ and its selenium-substitu…

A Monomer Mott Insulator (BEDT-TTF)Cu[N(CN)2​]2​ as a Potential Nodal Line System

Origin of phase stability in Fe with long-period stacking order as an intermediate phase in cyclic γ-ε martensitic transformation

First-principles study of the effective Hamiltonian for Dirac fermions with spin-orbit coupling in two-dimensional molecular conductor α-(BETS)2​I3​

Ambient pressure Dirac electron system in quasi-two-dimensional molecular conductor α-(BETS)2​I3​

Electronic Correlation and Geometrical Frustration in Molecular Solids -- A Systematic ab initio Study of β′-X[Pd(dmit)2​]2​

First-principles study of the charge ordered phase in κ-D3​(Cat-EDT-TTF/ST)2​: Stability of π-electron deuterium coupled ordering in hydrogen-bonded molecular conductors

A Monomer Mott Insulator (BEDT-TTF)Cu[N(CN) $_{2}$ ] $_{2}$ as a Potential Nodal Line System

Origin of phase stability in Fe with long-period stacking order as an intermediate phase in cyclic $γ$ - $ε$ martensitic transformation

First-principles study of the effective Hamiltonian for Dirac fermions with spin-orbit coupling in two-dimensional molecular conductor $α$ -(BETS) $_{2}$ I $_{3}$

Ambient pressure Dirac electron system in quasi-two-dimensional molecular conductor $α$ -(BETS) $_{2}$ I $_{3}$

Electronic Correlation and Geometrical Frustration in Molecular Solids -- A Systematic ab initio Study of $β^{'}$ - $X$ [Pd(dmit) $_{2}$ ] $_{2}$

First-principles study of the charge ordered phase in $κ$ -D $_{3}$ (Cat-EDT-TTF/ST) $_{2}$ : Stability of $π$ -electron deuterium coupled ordering in hydrogen-bonded molecular conductors