T. Miyazaki

most citedRecent progress with large-scale ab initio calculations: the CONQUEST code

199 citations · 199 across the 1 of their papers we have counts for

collaborators

3 papers

cond-mat.mtrl-sci2006★ 199 cited

Recent progress with large-scale ab initio calculations: the CONQUEST code

D. R. Bowler, R. Choudhury, M. J. Gillan +1

While the success of density functional theory (DFT) has led to its use in a wide variety of fields such as physics, chemistry, materials science and biochemistry, it has long been…

cond-mat.str-el2006

First-Principles Study of Electronic Structure in $α$ -(BEDT-TTF) $_{2}$ I $_{3}$ at Ambient Pressure and with Uniaxial Strain

Hiori Kino, Tsuyoshi Miyazaki

Within the framework of the density functional theory, we calculate the electronic structure of $α$ -(BEDT-TTF) $_{2}$ I $_{3}$ at 8K and room temperature at ambient pressure and with unia…

cond-mat.supr-con2003

Phase Diagram of $β^{'}$ -(BEDT-TTF) $_{2}$ ICl $_{2}$ under High Pressure Based on the First-Principles Electronic Structure

Hiori Kino, Hiroshi Kontani, Tsuyoshi Miyazaki

We present a theoretical study on the superconductivity of $β^{'}$ -(BEDT-TTF) $_{2}$ ICl $_{2}$ at $T_{c} =$ 14.2 K under a high hydrostatic pressure recently found, which is the highest a…

Recent progress with large-scale ab initio calculations: the CONQUEST code

First-Principles Study of Electronic Structure in α-(BEDT-TTF)2​I3​ at Ambient Pressure and with Uniaxial Strain

Phase Diagram of β′-(BEDT-TTF)2​ICl2​ under High Pressure Based on the First-Principles Electronic Structure

First-Principles Study of Electronic Structure in $α$ -(BEDT-TTF) $_{2}$ I $_{3}$ at Ambient Pressure and with Uniaxial Strain

Phase Diagram of $β^{'}$ -(BEDT-TTF) $_{2}$ ICl $_{2}$ under High Pressure Based on the First-Principles Electronic Structure