Browsing by Author "Akman, N."
Now showing items 1-5 of 5
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Atomic and electronic structures of doped silicon nanowires: A first-principles study
(2007)We have investigated the atomic and electronic structures of hydrogen saturated silicon nanowires doped with impurity atoms (such as Al, Ga, C, Si, Ge, N, P, As, Te, Pt) using a first-principles plane wave method. We ... -
Confined states in multiple quantum well structures of Sin Gen nanowire superlattices
(American Physical Society, 2007)Mechanical properties, atomic and energy band structures of bare and hydrogen-passivated Sin Gen nanowire superlattices have been investigated by using first-principles pseudopotential plane-wave method. Undoped, tetrahedral ... -
Functionalization of silicon nanowires with transition metal atoms
(American Physical Society, 2008)This paper investigates atomic structure, mechanical, electronic, and magnetic properties of silicon nanowires (SiNW) using first-principles plane-wave calculations within density-functional theory. We considered bare, ... -
Half-metallic silicon nanowires: First-principles calculations
(American Physical Society, 2007)From first-principles calculations, we predict that specific transition metal (TM) atom-adsorbed silicon nanowires have a half-metallic ground state. They are insulators for one spin direction, but show metallic properties ... -
Hydrogen storage capacity of titanium met-cars
(IOP Publishing Ltd., 2006)The adsorption of hydrogen molecules on the titanium metallocarbohedryne (met-car) cluster has been investigated by using the first-principles plane wave method. We have found that, while a single Ti atom at the corner can ...
