Elastic Properties of Zinc Blende MnTe

Optical properties of wurtzite and zinc-blende GaNÕAlN quantum dots

We investigate theoretically and compare optical properties of wurtzite and zinc-blende GaN/AlN quantum dots with heights from 1.5 to 4.5 nm. The quantum dot size corresponds to the strong quantum confinement regime. It has been established that the built-in piezoelectric field at the GaN/AlN interface governs optical properties of wurtzite quantum dots while having a small effect on zinc-blend...

THEORETICAL INVESTIGATION OF THE STRUCTURAL, ELECTRONIC, ELASTIC, AND OPTICAL PROPERTIES OF ZINC- BLENDE BeS UNDER HIGH PRESSURE

A theoretical study of structural, electronic, elastic and optical properties of zinc-blende BeS under hydrostatic pressure is presented using ab-initio plane wave pseudopotential density functional theory method within the local density approximation (LDA) and generalized gradient approximation (GGA) .The dependencies of the elastic constants, the bulk modulus, young modulus and energy gaps on...

Half-metallic Zinc-Blende Compounds

We report first-principles calculations of zinc-blende half-metals, identifying systems for epitaxial growth with semiconductors, and present calculations for CrAs/GaAs multilayers. We find that half-metallicity is conserved troughout the heterostructure, making this a good candidate for spintronics applications.

First-Principles Study of Structure, Electronic and Optical Properties of HgSe in Zinc Blende (B3) Phase

In this paper, the structural parameters, energy bands structure, density ofstates and charge density of HgSe in the Zincblende(B3) phase have been investigated.The calculations have been performed using the Pseudopotential method in theframework of density functional theory (DFT) by Quantum Espresso package. Theresults for the electronic density of states (DOS) show tha...

Non-linear electro-elastic coupling in highly strained zinc-blende compounds: InGaP/GaP [111] quantum wells