Journal ArticleDOI
Negative spin-orbit bowing in semiconductor alloys
Su-Huai Wei,Alex Zunger +1 more
TLDR
The authors' self-consistent electronic-structure calculations for Ga(As,Sb) show very little s mixing in the VBM and an enhancement of ..delta../sub 0/. Intraband p-p coupling is shown to dominate the changes in ..d delta../ Sub 0/.Abstract:
Early measurements on many bulk III-V alloys showed that the spin-orbit splitting ${\ensuremath{\Delta}}_{0}$ at the valence-band maximum (VBM) was universally reduced relative to the average value of the end-point constituents. This led to the assumption, guiding much of the subsequent data analysis, that such alloys universally mix some conduction-band s character into the VBM (``interband coupling''), suppressing ${\ensuremath{\Delta}}_{0}$. Our self-consistent electronic-structure calculations for Ga(As,Sb) show very little s mixing in the VBM and an enhancement of ${\ensuremath{\Delta}}_{0}$. Intraband p-p coupling is shown to dominate the changes in ${\ensuremath{\Delta}}_{0}$.read more
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Journal ArticleDOI
Optical critical points of thin-film Ge 1-y Sn y alloys: A comparative Ge 1-y Sn y /Ge 1-x Si x study
V. R. D'Costa,Candi S. Cook,A. G. Birdwell,Chris L. Littler,Michael Canonico,Stefan Zollner,John Kouvetakis,Jose Menendez +7 more
TL;DR: In this paper, a scaling behavior for the electronic properties that is the analog of the scaling behavior found earlier for the vibrational properties was found for the optical transitions in the alloys, which is not predicted by electronic structure calculations within the virtual crystal approximation.
Journal ArticleDOI
TIN-BASED GROUP IV SEMICONDUCTORS: New Platforms for Opto- and Microelectronics on Silicon
TL;DR: In this article, a new class of Sn-containing group IV semiconductors are described, which exhibit unprecedented thermal stability, superior crystallinity and unique optical and strain properties such as adjustable bandgaps, and controllable strain states.
Journal ArticleDOI
First-principles statistical mechanics of structural stability of intermetallic compounds.
TL;DR: First-principles calculations of the total energies of O(10) structures are used to define a multispin Ising Hamiltonian, whose ground-state structures can be systematically searched by using methods of lattice theories, establishing a direct and systematic link between the electronic structure and phase stability.
Journal ArticleDOI
Band‐gap narrowing in ordered and disordered semiconductor alloys
Su-Huai Wei,Alex Zunger +1 more
TL;DR: In this paper, the authors identify the mechanism for band gap narrowing as band folding followed by repulsion between the folded states, coupled by the non-zinc-blende component of the superlattice potential.
Journal ArticleDOI
Calculated spin-orbit splitting of all diamondlike and zinc-blende semiconductors: Effects of p 1 ∕ 2 local orbitals and chemical trends
Pierre Carrier,Su-Huai Wei +1 more
TL;DR: In this article, the spin-orbit splitting for all diamond-like group IV and zinc-blende group III-V, II-VI, and I-VII semiconductors using the full potential linearized augmented plane wave method within the local density approximation.
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