3 papers
cond-mat.mtrl-sci2010
Properties of atomic intercalated boron nitride K4 type crystals
Masahiro Itoh, Seiichi Takami, Yoshiyuki Kawazoe +1
The stability of atomic intercalated boron nitride K4 crystal structures, XBN (X=H, Li, Be, B, C, N, O, F, Na, Mg, Al, Si, P, S, Cl, K, Ca, Ga, Ge, As, Se, Br, Rb or Sr) is evaluat…
cond-mat.mtrl-sci2009
Properties of atomic intercalated carbon K4 crystals
Masahiro Itoh, Seiichi Takami, Yoshiyuki Kawazoe +1
The stability of atomic intercalated carbon crystals, XC (X=H, Li, Be, B, C, N, O, F, Na, Mg, Al, Si, P, S, Cl, K, Ca, Ga, Ge, As, Se, Br, Rb or Sr) is evaluated by g…
cond-mat.mtrl-sci2009
Comprehensive study of sodium, copper, and silver clusters over a wide range of sizes 2=<N=<75
Masahiro Itoh, Vijay Kumar, Tadafumi Adschiri +1
The geometric and electronic structures of NaN, CuN, and AgN metal clusters are systematically studied based on the density functional theory over a wide range of cluster sizes 2=<…