372 citations
- Advanced Science Research CenterJP11 papers
- Japan Atomic Energy AgencyJP7 papers
- The University of TokyoJP5 papers
- Kyoto UniversityJP4 papers
- Waseda UniversityJP3 papers
- Brookhaven National LaboratoryUS2 papers
- Fudan UniversityCN2 papers
- Hokkaido UniversityJP2 papers
- Massachusetts Institute of TechnologyUS2 papers
- Tohoku UniversityJP2 papers
- University of HyogoJP2 papers
- University of SaskatchewanCA2 papers
5 papers · 1 filter
Finite temperature effects on the structural stability of Si-doped HfO using first-principles calculations
Yosuke Harashima, Hiroaki Koga, Zeyuan Ni +9
The structural stabilities of the monoclinic and tetragonal phases of Si-doped HfO at finite temperatures were analyzed using a computational scheme to assess the effects of…
Self-learning Hybrid Monte Carlo: A First-principles Approach
Yuki Nagai, Masahiro Okumura, Keita Kobayashi +1
We propose a novel approach called Self-Learning Hybrid Monte Carlo (SLHMC) which is a general method to make use of machine learning potentials to accelerate the statistical sampl…
Interference of the Bloch phase in layered materials with stacking shifts
Ryosuke Akashi, Yo Iida, Kohei Yamamoto +1
In periodic systems, electronic wave functions of the eigenstates exhibit the periodically modulated Bloch phases and are characterized by their wave numbers . We theoreti…
Spin-dependent tunneling and Coulomb blockade in ferromagnetic nanoparticles
Kay Yakushiji, Franck Ernult, Seiji Mitani +2
We review studies on spin-dependent tunneling phenomena in systems containing ferromagnetic nanoparticles. We discuss preparation methods of assembling nanoparticles as well as the…
Pressure formulas for liquid metals and plasmas based on the density-functional theory
Junzo Chihara, Ichirou Fukumoto, Mitsuru Yamagiwa +1
At first, pressure formulas for the electrons under the external potential produced by fixed nuclei are derived both in the surface integral and volume integral forms concerning an…