TY - JOUR
T1 - Effect of strain on the energetics and kinetics of dissociation of Sb4 on Ge(001)
AU - Wang, Jian Tao
AU - Chen, Changfeng
AU - Wang, E. G.
AU - Wang, Ding Sheng
AU - Mizuseki, H.
AU - Kawazoe, Y.
PY - 2008/8/11
Y1 - 2008/8/11
N2 - A comprehensive search for the precursor dissociation of antimony tetramers on Ge(001) with strain was carried out using first-principles calculations. In contrast to previous theoretical studies on Si(001) [Phys. Rev. Lett. 97, 046103 (2006)] and in agreement with recent experiments, we reveal a square intermediate anisotropy dissociation pathway across the surface dimer row, where the dissociation energetics and kinetics can be qualitatively altered by the strain and lead to divergent dissociation pathways and patterns with substrate-dimer-bond breaking due to the weak interactions between Ge-Ge and Sb-Ge bonds.
AB - A comprehensive search for the precursor dissociation of antimony tetramers on Ge(001) with strain was carried out using first-principles calculations. In contrast to previous theoretical studies on Si(001) [Phys. Rev. Lett. 97, 046103 (2006)] and in agreement with recent experiments, we reveal a square intermediate anisotropy dissociation pathway across the surface dimer row, where the dissociation energetics and kinetics can be qualitatively altered by the strain and lead to divergent dissociation pathways and patterns with substrate-dimer-bond breaking due to the weak interactions between Ge-Ge and Sb-Ge bonds.
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U2 - 10.1103/PhysRevB.78.073403
DO - 10.1103/PhysRevB.78.073403
M3 - Article
AN - SCOPUS:49649084166
SN - 1098-0121
VL - 78
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 7
M1 - 073403
ER -