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First-principles Studies of AlSb, GaSb, and InSb on Si(111) and Si(100)
Oleg Efimov,이근정,윤영귀 한국물리학회 2012 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.61 No.1
We study the energetics and the atomic structures of MSb, where M is Al, Ga, or In, monolayers or thicker layers on Si(111)1×1 substrates and Si(100)2×1 substrates from first-principles. The calculated surface energies of MSb on Si(111) differ less than those of MAs on Si(111), for each M. Si(100)2×1:Sb is the most stable for each M among Si(100)2×1, Si(100)2×1:Sb, Si(100)2×1:(MSb), and Si(100)2×1:M. The relative surface energies of thicker epitaxial overlayer films on Si(100) are larger.
윤영귀,Oleg Efimov 한국물리학회 2008 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.52 No.1
Tight-binding electronic band structure calculations on perturbed (n,n) carbon nanotubes have been performed. Our study shows that periodic local perturbations influence the electronic band structures of (n,n) carbon nanotubes in different ways depending on the symmetry of the perturbation. We focus on reflection-symmetry-breaking local perturbations and analyze possible band crossings at the Fermi level at the Γ point in small-radius (n,n) carbon nanotubes with selected spatial periods. We find perturbations on the order of 1 eV are required to cause the nanotube to be metallic in the presence of the perturbations. This finding provides valuable information regarding sensor and electronic-device applications of perturbed (n,n) carbon nanotubes.