127 citations · 358 across the 16 of their papers we have counts for
16 papers
Prediction of Born effective charges using neural network to study ion migration under electric fields: applications to crystalline and amorphous LiPO
Koji Shimizu, Ryuji Otsuka, Masahiro Hara +2
Understanding ionic behaviour under external electric fields is crucial to develop electronic and energy-related devices using ion transport. In this study, we propose a neural net…
Non-charge-transfer origin of Tc Enhancement in a Surface Superconductor Si(111)-(root7xroot3)-In with Adsorbed Organic Molecules
Kenta Yokota, Shunsuke Inagaki, Wenxuan Qian +5
The effects of adsorption of Zn-phthalocyanine (ZnPc) molecules on the superconductivity of the Si(111)-(root7xroot3)-In surface are studied through transport measurements under ul…
Persistent homology-based descriptor for machine-learning potential of amorphous structures
Emi Minamitani, Ippei Obayashi, Koji Shimizu +1
High-accuracy prediction of the physical properties of amorphous materials is challenging in condensed-matter physics. A promising method to achieve this is machine-learning potent…
Using neural network potential to study point defect properties in multiple charge states of GaN with nitrogen vacancy
Koji Shimizu, Ying Dou, Elvis F. Arguelles +3
Investigation of charged defects is necessary to understand the properties of semiconductors. While density functional theory calculations can accurately describe the relevant phys…
Ab initio analysis for initial process of Joule heating in semiconductors
Emi Minamitani
To investigate the initial process of Joule heating in semiconductors microscopically and quantitatively, we developed a theoretical framework for the ab initio evaluation of the c…
Topological descriptor of thermal conductivity in amorphous materials
Emi Minamitani, Takuma Shiga, Makoto Kashiwagi +1
Quantifying the correlation between the complex structures of amorphous materials and their physical properties has been a long-standing problem in materials science. In amorphous…
Phase stability of Au-Li binary systems studied using neural network potential
Koji Shimizu, Elvis F. Arguelles, Wenwen Li +3
The miscibility of Au and Li exhibits a potential application as an adhesion layer and electrode material in secondary batteries. Here, to explore alloying properties, we construct…
Theoretical prediction of superconductivity in monolayer h-BN doped with alkaline-earth metals (Ca, Sr, Ba)
Nao. H. Shimada, Emi Minamitani, Satoshi Watanabe
We investigated the possibility of superconductivity in monolayer hexagonal boron nitride (h-BN) doped using each group-1 (Li, Na, K) and group-2 (Be, Mg, Ca, Sr, Ba) atom via ab-i…
Geometric spin-orbit coupling and chirality-induced spin selectivity
Atsuo Shitade, Emi Minamitani
We report a new type of spin-orbit coupling (SOC) called geometric SOC. Starting from the relativistic theory in curved space, we derive an effective nonrelativistic Hamiltonian in…
Simulating lattice thermal conductivity in semiconducting materials using high-dimensional neural network potential
Emi Minamitani, Masayoshi Ogura, Satoshi Watanabe
We demonstrate that a high-dimensional neural network potential (HDNNP) can predict the lattice thermal conductivity of semiconducting materials with an accuracy comparable to that…
Phonon Angular Momentum Induced by Temperature Gradient
Masato Hamada, Emi Minamitani, Motoaki Hirayama +1
Phonon modes in crystals can have angular momenta in general. It nevertheless cancels in equilibrium when the time-reversal symmetry is preserved. In this paper we show that when a…
Mechanically tunable spontaneous vertical charge redistribution in few-layer WTe2
Zeyuan Ni, Emi Minamitani, Kazuaki Kawahara +4
Broken symmetry is the essence of exotic properties in condensed matters. Tungsten ditelluride, WTe, exceptionally takes a non-centrosymmetric crystal structure in the family o…
Two-dimensional atomic layer-molecule hybrid superconductors with controllable exchange coupling
Shunsuke Yoshizawa, Emi Minamitani, Saranyan Vijayaraghavan +6
The coexistence and competition of superconductivity and magnetism can lead to a variety of rich physics and technological applications. Recent discovery of atomic-layer supercondu…
Scanning tunneling spectroscopy of superconductivity on surfaces of LiTi2O4(111) thin films
Yoshinori Okada, Yasunobu Ando, Ryota Shimizu +4
Unique superconductivity at surfaces/interfaces, as exemplified by LaAlO3/SrTiO3 interfaces, and the high transition temperature in ultrathin FeSe films, have triggered intense deb…
Electronic and magnetic influences of a stacking fault in cobalt nanoscale islands on the Ag(111) surface
Keiji Doi, Emi Minamitani, Shunji Yamamoto +4
Utilizing spin-polarized scanning tunneling microscopy and spectroscopy, we found coexistence of perpendicularly and in-plane magnetized cobalt nanoscale islands on the Ag(111) sur…
Scanning tunneling spectroscopic evidence of crossover transition in the two-impurity Kondo problem
Emi Minamitani, Hiroshi Nakanishi, Wilson Agerico Dino +1
We calculate the differential conductance (dI/dV) corresponding to scanning tunneling spectroscopy (STS) measurements for two magnetic atoms adsorbed on a metal surface with the ai…