Mitsuaki Kawamura

Odd-Parity Crystalline Electric Field and Multipoles in Icosahedral Quasicrystal and Approximant: Magnetic Toroidal and Electric Dipoles in Ce-Based Systems

Shinji Watanabe, Syunta Furuya, Mitsuaki Kawamura

Quasicrystals (QCs) lack periodic arrangement of atoms but possess unique structural order distinct from periodic crystals and random systems. The electronic property is far from complete understanding. Here we have formulated not only even-parity but also odd-parity crystalline electric field (CEF) in …

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High-Tc superconductivity in functionalized out-of-plane ordered double transition metal MXenes

Mohammad Keivanloo, Fateme Dinmohammad, Shashi B. Mishra, Mohammad Sandoghchi et autres

Two-dimensional (2D) superconductors attracted growing interest in condensed-matter physics research. In this work, we explore the superconducting properties of surface-functionalized, out-of-plane ordered double transition-metal MXenes (o-MXenes), which exhibit distinctive structural and electronic characteristics. Using first-principles calculations, we investigate the effects of electronic …

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Spin fluctuation-mediated unconventional superconductivity in ThFeAsN from first-principles

Guo G, Jau-Wen Liu, Mitsuaki Kawamura

Superconducting (SC) pairing mechanism, origin of high $T_c$ and symmetry of SC order parameter in Fe-based superconductors are among the important unsolved problems in condensed matter and materials physics. We study the SC properties of ThFeAsN, a Fe-based high $T_c$ superconductor, by …

Spin fluctuation-mediated unconventional superconductivity in ThFeAsN from first-principles

Guo G, Jau-Wen Liu, Mitsuaki Kawamura

Superconducting (SC) pairing mechanism, origin of high $T_c$ and symmetry of SC order parameter in Fe-based superconductors are among the important unsolved problems in condensed matter and materials physics. We study the SC properties of ThFeAsN, a Fe-based high $T_c$ superconductor, by …

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First-principles calculation of coherence length and penetration depth based on density functional theory for superconductors

Mitsuaki Kawamura, Takuya Nomoto, Niklas Witt, Ryotaro Arita

We develop a first-principles framework for evaluating the fundamental length scales of superconductivity, namely the coherence length $ξ_0$ and the magnetic penetration depth $λ_\mathrm{L}$, within superconducting density functional theory (SCDFT). By incorporating finite-momentum Cooper pairs, we formulate a microscopic scheme that enables …

First-principles calculation of coherence length and penetration depth based on density functional theory for superconductors

Mitsuaki Kawamura, Takuya Nomoto, Niklas Witt, Ryotaro Arita

We develop a first-principles framework for evaluating the fundamental length scales of superconductivity, namely the coherence length $ξ_0$ and the magnetic penetration depth $λ_\mathrm{L}$, within superconducting density functional theory (SCDFT). By incorporating finite-momentum Cooper pairs, we formulate a microscopic scheme that enables …

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High-Tc Superconductivity in Functionalized Out-of-Plane Ordered Double Transition Metal MXenes

Mohammad Keivanloo, Fateme Dinmohammad, Shashi B. Mishra, Mohammad Sandoghchi et autres

Two-dimensional (2D) superconductors attracted growing interest in condensed-matter physics research. In this work, we explore the superconducting properties of surface-functionalized, out-of-plane ordered double transition-metal MXenes (o-MXenes), which exhibit distinctive structural and electronic characteristics. Using first-principles calculations, we investigate the effects of electronic …

High-Tc Superconductivity in Functionalized Out-of-Plane Ordered Double Transition Metal MXenes

Mohammad Keivanloo, Fateme Dinmohammad, Shashi B. Mishra, Mohammad Sandoghchi et autres

Two-dimensional (2D) superconductors attracted growing interest in condensed-matter physics research. In this work, we explore the superconducting properties of surface-functionalized, out-of-plane ordered double transition-metal MXenes (o-MXenes), which exhibit distinctive structural and electronic characteristics. Using first-principles calculations, we investigate the effects of electronic …

Chemically tunable quantum magnetism on the anisotropic triangular lattice in rhenium oxyhalides

Masaki Gen, Daigorou Hirai, Katsuhiro Morita, Kazuhiro Nawa et autres

The spin-1/2 Heisenberg antiferromagnet on an anisotropic triangular lattice (ATL) is an archetypal spin system hosting exotic quantum magnetism and dimensional crossover. However, the progress in experimental research on this field has been limited due to the scarcity of ideal model materials. …

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Selective Observation of Edge-Specific Electronic States and Chemical Reactivity of Laser-Cut MoS 2 Surfaces

Fumihiko Ozaki, Shuntaro Tani, S. Tanaka, Young-Hyun Choi et autres

The edge sites of molybdenum disulfide (MoS 2 ) are recognized as active sites for various catalytic reactions. However, selective spectroscopic investigation of edge-specific electronic states and surface reactions has been challenging due to the difficulty in preparing edge surfaces with sufficiently …

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Project for advancement of software usability in materials science

Kazuyoshi Yoshimi, Yuichi Motoyama, Tatsumi Aoyama, Mitsuaki Kawamura et autres

The Institute for Solid State Physics (ISSP) at The University of Tokyo has been carrying out a software development project named ‘the Project for Advancement of Software Usability in Materials Science (PASUMS)’. Since the launch of PASUMS, various open-source software programs have …

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Project For Advancement of Software Usability in Materials Science

Kazuyoshi Yoshimi, Yuichi Motoyama, Tatsumi Aoyama, Mitsuaki Kawamura et autres

The Institute for Solid State Physics (ISSP) at The University of Tokyo has been carrying out a software development project named ``the Project for Advancement of Software Usability in Materials Science (PASUMS)". Since the launch of PASUMS, various open-source software programs have …