39 citations · 76 across the 6 of their papers we have counts for
6 papers
A self-consistent first-principles calculation scheme for correlated electron systems
Koichi Kusakabe, Naoshi Suzuki, Shusuke Yamanaka +1
A self-consistent calculation scheme for correlated electron systems is created based on the density-functional theory (DFT). Our scheme is a multi-reference DFT (MR-DFT) calculati…
New Ferromagnetic Nitrides CaN and SrN and their synthesis process
Masaaki Geshi, Koichi Kusakabe, Hitose Nagara +1
We introduce new type of ferromagnets, CaN and SrN, which were designed using first-principles calculations. These are half-metallic ferromagnets and they have magnetic moments of…
Finding the structure of phosphorus in the phase IV
T. Ishikawa, H. Nagara, K. Kusakabe +1
We have explored the unknown structure of the phosphorus in the phase IV (P-IV phase) based on the first-principles calculations using the metadynamics simulation method. Starting…
Zinc-blende CaP, CaAs and CaSb as half-metals: A new route to magnetism in calcium compounds
Masaaki Geshi, Koichi Kusakabe, Hidekazu Tsukamoto +1
Existence of ferromagnetism in bulk calcium compounds is discovered theoretically. First-principles calculations of calcium phosphide, calcium arsenide and calcium antimonide in th…
Study of Magnetic Excitation in Singlet-Ground-State Magnets CsFeCl and RbFeCl by Nuclear Magnetic Relaxation
Mitsuru Toda, Takao Goto, Meiro Chiba +1
The temperature dependences of spin-lattice relaxation time of Cs in CsFeCl and Rb in RbFeCl were measured in the temperature range between 1.5 K and 2…
Structural and superconducting transition in selenium under high pressures
M. Otani, N. Suzuki
First-principles calculations are performed for electronic structures of two high pressure phases of solid selenium, -Po and bcc. Our calculation reproduces well the pressure-in…