6 citations · 15 across the 7 of their papers we have counts for
7 papers
Functional renormalization group for classical liquids without recourse to hard-core reference systems: A study of three-dimensional Lennard-Jones liquids
Takeru Yokota, Jun Haruyama, Osamu Sugino
In our previous work [Phys. Rev. E 104, 014124 (2021)], we developed a method for analyzing classical liquids using the functional renormalization group (FRG) without relying on a…
Benchmarking of Oxygen Adsorption using TPD Spectroscopy for Accurate DFT Prediction of ORR on Anatase Titanium Dioxide (101)
Shibghatullah Muhammady, Jun Haruyama, Shusuke Kasamatsu +1
Despite the wide use of first-principles calculations to elucidate catalytic reaction mechanisms, the reliability of the theory remains unknown for reactions that initiate with O$_…
Magnetic phases of electron-doped infinite-layer SrLaCuO from first-principles density functional calculations
Alpin N. Tatan, Jun Haruyama, Osamu Sugino
The magnetic phases of electron-doped infinite-layer SrLaCuO are elucidated by first-principles density functional calculations. The antiferromagnetic parent state,…
Theoretical analysis of zirconium oxynitride/water interface using neural network potential
Akitaka Nakanishi, Shusuke Kasamatsu, Jun Haruyama +1
Zr oxides and oxynitrides are promising candidates to replace precious metal cathodes in polymer electrolyte fuel cells. Oxygen reduction reaction activity in this class of materia…
First-principles electronic structure investigation of HgBaCaCuO with the SCAN density functional
Alpin N. Tatan, Jun Haruyama, Osamu Sugino
We perform first-principles calculation to study the electronic structure of HgBaCaCuO copper oxides up to for the undoped parent compound $(…
Optical representation of thermal nuclear fluctuation effect on band-gap renormalization
Kohei Ishii, Jun Haruyama, Osamu Sugino
The bandgap of insulating materials is renormalized in various ways by the electron-phonon interaction owing to the dynamical and quantum fluctuations of nuclei. These fluctuation…
Surface-state Coulomb repulsion accelerates a metal-insulator transition in topological semimetal nanofilms
S. Ito, M. Arita, J. Haruyama +11
The emergence of quantization at the nanoscale, the quantum size effect (QSE), allows flexible control of matter and is a rich source of advanced functionalities. A QSE-induced tra…