167 citations · 352 across the 20 of their papers we have counts for
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Electronic structures and optical properties of layered perovskites Sr_2MO_4 (M=Ti, V, Cr, and Mn): An ab initio study
Hongming Weng, Y. Kawazoe, Xiangang Wan +1
A series of layered perovskites SrO (=Ti, V, Cr, and Mn) is studied by calculations within generalized gradient approximation (GGA) and GGA+ schemes…
Ab-inito study on different phases of ferromagnetic CeMnNi4
P. Murugan, Abhishek Kumar Singh, G. P. Das +1
Using first-principles density functional calculations, we study the possible phases of CeMnNi and show that the ground state is ferromagnetic. We observed the hexagonal phas…
Thermoelectric properties of a nanocontact
Keivan Esfarjani, Mona Zebarjadi, Ali Shakouri +1
Thermoelectric properties of a nanocontact made of two capped single wall nanotubes (SWNT) are calculated within the tight-binding approximation and Green's function method. It is…
ab initio Study of Strain-Induced Ferroelectricity in SrTiO3
Takatoshi Hashimoto, Takeshi Nishimatsu, Hiroshi Mizuseki +3
Valley lines on total-energy surfaces for the zone-center distortions of free-standing and in-plane strained SrTiO3 are investigated with a newly developed first-principles structu…
Controlling edge states of zigzag carbon nanotubes by the Aharonov-Bohm flux
K. Sasaki, S. Murakami, R. Saito +1
It has been known theoretically that localized states exist around zigzag edges of a graphite ribbon and of a carbon nanotube, whose energy eigenvalues are located between conducti…