Theoretical study of electronic and optical properties of BN, GaN and BxGa1− xN in zinc blende and wurtzite structures

A Said, M Debbichi, M Said - Optik, 2016 - Elsevier
Using density-functional theory (DFT) within local density approximation (LDA), the
electronic and optical properties of GaN, BN and BGaN alloy have been investigated in zinc …

Lattice dynamics of the mixed semiconductors (Be, Zn) Se from first-principles calculations

AV Postnikov, O Pagès, J Hugel - Physical Review B—Condensed Matter and …, 2005 - APS
Vibration properties of Zn 1− x Be x Se, a mixed II-VI semiconductor characterized by a high
contrast in elastic properties of its pure constituents ZnSe and BeSe, are simulated by first …

Soluble supertetrahedral chalcogenido T4 clusters: high stability and enhanced hydrogen evolution activities

M Hao, Q Hu, Y Zhang, M Luo, Y Wang, B Hu… - Inorganic …, 2019 - ACS Publications
The discrete supertetrahedral chalcogenido T n clusters can be regarded as a type of
quantum dot (QD) with precise structure and uniform size. They were commonly studied in …

Highly luminescent (Zn, Cd) Te/CdSe colloidal heteronanowires with tunable electron–hole overlap

E Groeneveld, S Van Berkum… - Nano …, 2012 - ACS Publications
We report the synthesis of ultranarrow (Zn, Cd) Te/CdSe colloidal heteronanowires, using
ZnTe magic size clusters as seeds. The wire formation starts with a partial Zn for Cd cation …

Growth and Stability of ZnTe Magic‐Size Nanocrystals

E Groeneveld, S van Berkum, A Meijerink… - Small, 2011 - Wiley Online Library
A synthetic method for ZnTe magic‐sized clusters (MSCs) is reported, and the stability and
growth kinetics of these clusters are investigated. Four distinct MSC families, with lowest …

X-ray-absorption fine-structure study of ZnSexTe1− x alloys

J Pellicer-Porres, A Polian, A Segura… - Journal of applied …, 2004 - pubs.aip.org
X-ray-absorption fine-structure experiments at different temperatures in ZnSexTe1− x (x= 0,
0.1, 0.2, 0.55, 0.81, 0.93, 0.99, and 1.0) have been performed in order to obtain information …

A theoretical investigation of ZnOx S1–x alloy band structure

H Rozale, L Beldi, B Bouhafs… - physica status solidi …, 2007 - Wiley Online Library
We report the properties of ordered ZnOx S1–x alloys calculated in various structures (CuAu–
I, Cu3Au, Luzonite and Famatinite) using a first‐principles total‐energy formalism based on …

First-principles study of the energy-gap composition dependence of ternary alloys

A Berghout, A Zaoui, J Hugel, M Ferhat - Physical Review B—Condensed …, 2007 - APS
We report the results of a self-consistent pseudopotential study including structural, optical,
and thermodynamic properties of cubic Zn 1− x Be x Se semiconductor alloy. The system is …

High-pressure phase diagram of alloys

J Pellicer-Porres, D Martínez-García… - Physical Review B …, 2005 - APS
We have performed high-pressure energy dispersive x-ray diffraction experiments in Zn Se x
Te 1− x alloys (x= 0, 0.1, 0.2, 0.55, 0.81, 0.93, 0.99, and 1.0) in order to establish their …

[PDF][PDF] First-principles study of cubic BxGa1-xN alloys

A Lachebi, H Abid, M Driz, Y Al-Douri - International Journal, 2008 - Citeseer
We present first-principles calculations of the structural and electronic properties of cubic for
different concentrations x of ternary alloy BxGa1-x N. The computational method is based on …