11 citations · 11 across the 1 of their papers we have counts for
6 papers
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…