Electronic structures, equilibrium geometries, and finite-temperature properties ofNan(n=39–55)from first principles
نویسندگان
چکیده
منابع مشابه
Electronic structures, equilibrium geometries, and finite-temperature properties of Nan „n=39–55... from first principles
Density-functional theory has been applied to investigate systematics of sodium clusters Nan in the size range of n=39–55. A clear evolutionary trend in the growth of their ground-state geometries emerges. The clusters at the beginning of the series n=39–43 are symmetric and have partial icosahedral two-shell structure. The growth then goes through a series of disordered clusters n=44–52 where ...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2007
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.76.165414