15 citations · 32 across the 4 of their papers we have counts for
6 papers · 1 filter
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…
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…
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…
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…