Onsite matrix elements of the tight-binding Hamiltonian of a strained crystal: Application to silicon, germanium, and their alloys

YM Niquet, D Rideau, C Tavernier, H Jaouen… - Physical Review B …, 2009 - APS
We discuss a model for the onsite matrix elements of the sp 3 d 5 s∗ tight-binding
Hamiltonian of a strained diamond or zinc-blende crystal or nanostructure. This model …

Tetragonal and trigonal deformations in zinc-blende semiconductors: A tight-binding point of view

JM Jancu, P Voisin - Physical Review B—Condensed Matter and Materials …, 2007 - APS
The deformation potentials of cubic semiconductors are reexamined from the point of view of
the extended-basis sp 3 d 5 s* tight-binding model. Previous parametrizations had failed to …

Phonon spectra of diamond and zinc-blende semiconductors

EO Kane - Physical Review B, 1985 - APS
We model the phonon spectra of the diamond-structure compounds C, Si, Ge, Sn and the
zinc-blende-structure compounds GaP, GaAs, and ZnS. We use a four-parameter valence …

Nonorthogonal tight-binding model for germanium

N Bernstein, MJ Mehl, DA Papaconstantopoulos - Physical Review B, 2002 - APS
We present a pair of nonorthogonal tight-binding (TB) models for germanium within the NRL-
TB approach. One uses an sp 3 basis, and is optimized for total-energy calculations by fitting …

Type-I alignment and direct fundamental gap in SiGe based heterostructures

M Virgilio, G Grosso - Journal of Physics: Condensed Matter, 2006 - iopscience.iop.org
The electronic properties of strained Si 1− x Ge x alloys epitaxially grown on (001) Si 1− y
Ge y relaxed substrates for any x and y Ge concentrations are presented here. Our …

Extraction of large valence-band energy offsets and comparison to theoretical values for strained-Si/strained-Ge type-II heterostructures on relaxed SiGe substrates

JT Teherani, W Chern, DA Antoniadis, JL Hoyt… - Physical Review B …, 2012 - APS
Metal-oxide-semiconductor capacitors were fabricated on type-II staggered gap strained-
Si/strained-Ge heterostructures epitaxially grown on relaxed SiGe substrates of various Ge …

Phonons in Si-Ge systems: An ab initio interatomic-force-constant approach

S de Gironcoli - Physical Review B, 1992 - APS
The vibrational properties of Si-Ge systems are studied theoretically with ab initio
techniques. Full dispersion relations for pure silicon and germanium crystals under several …

Core-level photoemission measurements of valence-band offsets in highly strained heterojunctions: Si-Ge system

GP Schwartz, MS Hybertsen, J Bevk, RG Nuzzo… - Physical Review B, 1989 - APS
The binding-energy separation between the Si 2p and Ge 3d core levels has been
measured on pseudomorphically strained heterojunctions consisting of Si on Ge (100) and …

Valence-band offsets at strained Si/Ge interfaces

L Colombo, R Resta, S Baroni - Physical Review B, 1991 - APS
We perform a thorough theoretical analysis of the band-offset problem at strained Si/Ge
interfaces. The difference between the two materials is small enough to warrant a linear …

Band structure and symmetry analysis of coherently grown alloys on oriented substrates

QM Ma, KL Wang, JN Schulman - Physical Review B, 1993 - APS
A semiempirical tight-binding method was used to calculate the band structures of Si 1− x
Ge x alloys coherently grown on (001)-,(111)-, and (110)-oriented Si 1− y Ge y substrates …