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濱田 智之*; 大野 隆央*; 前川 禎通
Molecular Physics, 113(3-4), p.314 - 318, 2014/07
被引用回数：3 パーセンタイル：10.83(Chemistry, Physical)The electronic and magnetic structures of the CoFeB|Ta and CoFe|TaB heterostructures were investigated from first principles in an attempt to clarify the effect of the Ta layer on the energetic stability and magnetisation of the heterostructures, which are used in magnetic random access memory devices.
and 
within a Pseudopotential formalism; Application to FeO and LaVO
濱田 智之*; 大野 隆央*; 前川 禎通
Journal of the Korean Physical Society, 62(12), p.2155 - 2159, 2013/06
被引用回数：3 パーセンタイル：27.18(Physics, Multidisciplinary)A first-principles density theory (DFT)+U method based on the pseudopotential (PP) method was developled to enable 
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prediction of electronic structures of strongly-correlated electronic structures (SCES) systems. The method determines the radius of the localized electron orbitals of a SCES system and the Hubbard parameteres 
and 
for the electrons and calculates the electronic structure of the system by using the rotationally-invariant DFT + U method and using the determined radius and parameters. The electronic structure of FeO in the anti-ferromagnetic state was calculated by using the method, and the method could describe the electronic structure of FeO correctly, producing an insulating ground state for FeO with an indirect band gap of 1.88 eV.
