J. Phys. Soc. Jpn. 87, 114701 (2018) 2018年5月 [査読有り]
To explore material dependence of cuprate superconductors, we evaluate<br />
effective Coulomb interactions for Hg1201 and Tl1201, where Tl1201 having a<br />
nearly half value of T_c of Hg1201 even at the optimal oxygen concentration.<br />
Altho...
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 86(8) 084707-1-084707-6 2017年8月
A self-doping effect between outer and inner CuO2 planes (OPs and IPs) in multilayer cuprate superconductors is studied. When one considers a three-layer tight-binding model of the Hg-based three-layer cuprate derived from first-principles calcula...
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 86(8) 084707-1-084707-6 2017年8月 [査読有り]
A self-doping effect between outer and inner CuO2 planes (OPs and IPs) in multilayer cuprate superconductors is studied. When one considers a three-layer tight-binding model of the Hg-based three-layer cuprate derived from first-principles calcula...
To explore material dependence of layered cuprate superconductors, we examine<br />
effective two-particle interactions for Hg1201 and Tl1201, where Tl1201 having<br />
a nearly half value of Tc of Hg1201 even at the optimal oxygen concentration.<...
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 42(37) 23691-23697 2017年9月 [査読有り]
We investigated the minimum energy pathways and energy barriers of reversible reaction (V-111 + H-2 <-> V-221) based upon calculations using density functional theory. We find a comparable activation barrier of around 1.3 eV for both the dis...
" target="_blank">Magnetic correlation effects by the topological zero mode in a hydrogenated graphene vacancy
Electron correlation effects caused by the topological zero mode of a<br />
hydrogenated graphene vacancy, , with three adsorbed hydrogen atoms is<br />
discussed theoretically. A Kondo model is derived from the multi-reference<br />
repr...
correlation in the cuprate superconductors --- bilayer vs single layer" target="_blank">Orbital mixture effect on the Fermi surface- correlation in the cuprate superconductors --- bilayer vs single layer
By constructing two-orbital models from first<br />
principles, we have obtained a systematic correlation between the Fermi surface<br />
warping and the evaluated for various bilayer as well as single-layer<br />
cupra...