C.L. Kane, P.A. Lee, et al.
Physical Review B
A second-order twin boundary in Si, of the 9 type, is investigated with first-principles density-functional theory and with an empirical tight-binding model. Of two proposed reconstructions studied, the one supported by recent experiment is energetically favored, with less bond stretching than the other. A conduction-band-edge interface electronic state associated with bond-angle strains is found. A phonon resonance, the interfacial analog of a Rayleigh mode, is predicted; Raman spectroscopy should be able to detect it. © 1986 The American Physical Society.
C.L. Kane, P.A. Lee, et al.
Physical Review B
R.H. Koch, G.A. Keefe, et al.
Physical Review Letters
Efthimios Kaxiras, O.L. Alerhand, et al.
Physical Review Letters
D.P. Divincenzo, J.A. Smolin
PhysComp 1994