One-hundred-three compound band-structure benchmark of post-self-consistent spin-orbit coupling treatments in density functional theory

WP Huhn, V Blum - Physical Review Materials, 2017 - APS
We quantify the accuracy of different non-self-consistent and self-consistent spin-orbit
coupling (SOC) treatments in Kohn-Sham and hybrid density functional theory by providing …

Five-level k⋅ p model for the conduction and valence bands of GaAs and InP

P Pfeffer, W Zawadzki - Physical Review B, 1996 - APS
The band structure of medium-gap semiconductors GaAs and InP is described theoretically
using a five-level k⋅ p model and including far-level contributions as well as polaron effects …

Highly selective and sensitive detection of mercuric ion based on a visual fluorescence method

C Yuan, K Zhang, Z Zhang, S Wang - Analytical chemistry, 2012 - ACS Publications
The instant and on-site detection of trace aqueous mercuric ion still remains a challenge for
environmental monitoring and protection. This work demonstrates a new analytical method …

Fe‐based semimagnetic semiconductors

A Mycielski - Journal of Applied Physics, 1988 - pubs.aip.org
Recently, the family of semimagnetic semiconductors (SMSC) or diluted magnetic
semiconductors (DMS) typically involving manganese ions, Le" Cdl" Mnx Te, Cd! _xMnxSe …

Thermoelectric properties of Mg-doped mercury selenide HgSe

Y Selmani, H Labrim, A Jabar… - International Journal of …, 2024 - World Scientific
By using the density functional theory (DFT) in combination with Boltzmann transport theory,
the influence of Mg concentrations (x) doping on the thermoelectric properties of Hg 1− x Mg …

Infrared absorption in quantum wells

S Ridene, K Boujdaria, H Bouchriha, G Fishman - Physical Review B, 2001 - APS
The infrared intersubband optical transitions in SiGe/Si quantum wells is theoretically
examined. We have used the 8× 8, 12× 1 2, and 14× 14 k⋅ p Hamiltonians taking into …

Spin superlattice with tunable minigap

M von Ortenberg - Physical Review Letters, 1982 - APS
A" spin superlattice" can be formed by periodical doping with paramagnetic ions, so that only
the effective g factor of the conduction electrons is affected. An external magnetic field and …

HgSe: Metal or semiconductor?

KU Gawlik, L Kipp, M Skibowski, N Orłowski… - Physical review letters, 1997 - APS
From magnetotransport measurements it is generally believed that Hg-VI compounds show
zero gap semiconducting behavior. Applying combined angle-resolved photoemission and …

Reduction of charge-center scattering rate in Se

FS Pool, J Kossut, U Debska, R Reifenberger - Physical Review B, 1987 - APS
The electrical resistivity, electron concentration, and mobility of Hg 1− x Fe x Se are reported
for 4.2< T< 300 K and for 0.0001< x< 0.12. The data are interpreted within an electronic …

Band gap of Hg chalcogenides: Symmetry-reduction-induced band-gap opening of materials with inverted band structures

CY Moon, SH Wei - Physical Review B—Condensed Matter and Materials …, 2006 - APS
We have investigated the band structure of zinc-blende (ZB) Hg chalcogenides using a
corrected local density approximation method. We find that the band gaps of HgS, HgSe …