日本物理学会
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作者:Sachio Horiuchi , Shoji Ishibashi
来源:[J].Journal of the Physical Society of Japan(IF 2.087), 2020, Vol.89 (5)
摘要:The development of organic ferroelectrics and antiferroelectrics with significantly improved performances has recently increased. Their attractive features are environmentally benign nature and technological advantages such as the light weight, flexibility, biocompatibility,...
作者:Shoji Ishibashi
来源:[J].Journal of the Physical Society of Japan(IF 2.087), 2015, Vol.84 (8)
摘要:The positron–monovacancy interaction in d -block metals (except for Mn, Tc, and Hg) has been studied by the two-component density-functional-theory formalism [E. Boroński and R. M. Nieminen, Phys. Rev. B 34 , 3820 (1986) ]. On the unrelaxed structure, the positron lifetime c...
作者:Shoji Ishibashi , Hisashi Tanaka ...
来源:[J].Journal of the Physical Society of Japan(IF 2.087), 2005, Vol.74 (3), pp.843-846
摘要:We have investigated the electronic structure of Au(tmdt)2 (tmdt = trimethylenetetrathiafulvalenedithiolate), which is a single-component conductor showing a magnetic phase transition around 100 K, by ab initio plane-wave pseudopotential calculations. A single band cro...
作者:Shoji Ishibashi , Kiyoyuki Terakura
来源:[J].Journal of the Physical Society of Japan(IF 2.087), 2014, Vol.83 (7)
摘要:To clarify the origin of the exotic ferroelectricity in tetrathiafulvalene- p -chloranil (TTF-CA), its electronic structure has been analyzed using effective charges and maximally localized Wannier orbitals as a function of the linear interpolation parameter (λ) connecting t...
作者:Shoji Ishibashi , Kiyoyuki Terakura
来源:[J].Journal of the Physical Society of Japan(IF 2.087), 2008, Vol.77 (10)
摘要:We perform a systematic study of electronic structures and potential profiles based on the ab initio calculations for LaAlO3/SrTiO3 (001)-stacking thin films [(TiO2–SrO)2(AlO2–LaO) n and (SrO–TiO2...
作者:Shoji Ishibashi , Kiyoyuki Terakura , Sachio Horiuchi
来源:[J].Journal of the Physical Society of Japan(IF 2.087), 2010, Vol.79 (4)
摘要:The electronic structure of organic ferroelectric tetrathiafulvalene– p -bromanil (TTF–BA) have been studied by first-principles calculations. It has been found that two antiferromagnetic ordered states, which are assumed to approximate a spin-singlet state, are more stable ...
作者:Shoji Ishibashi , Kiyoyuki Terakura
来源:[J].Journal of the Physical Society of Japan(IF 2.087), 2010, Vol.79 (9)
摘要:We have investigated polarizability (up to the third order) distributions for LaAlO3 (LAO)/SrTiO3 (STO) superlattices by first-principles calculations for two different stackings, i.e., [011] and [001], in order to study the basic difference in the electroni...
作者:Shoji Ishibashi , Kiyoyuki Terakura
来源:[J].Journal of the Physical Society of Japan(IF 2.087), 2014, Vol.83 (7)
摘要:To clarify the origin of the exotic ferroelectricity in tetrathiafulvalene- p -chloranil (TTF-CA), its electronic structure has been analyzed using effective charges and maximally localized Wannier orbitals as a function of the linear interpolation parameter (λ) connecting t...

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