most citedAb-initio description of heterostructural alloys: Thermodynamic and structural properties of Mg_x Zn_{1-x} O and Cd_x Zn_{1-x} O

59 citations · 59 across the 2 of their papers we have counts for

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cond-mat.mtrl-sci2023

First-principles insight in structure-property relationships of hexagonal Si and Ge polytypes

Martin Keller, Abderrezak Belabbes, Jürgen Furthmüller +2

Hexagonal SiGe is a promising material for combining electronic and photonic technologies. In this work, the energetic, structural, elastic and electronic properties of the hexagon…

cond-mat.mtrl-sci2010★ 59 cited

Ab-initio description of heterostructural alloys: Thermodynamic and structural properties of Mg_x Zn_{1-x} O and Cd_x Zn_{1-x} O

A. Schleife, M. Eisenacher, C. Rödl +3

Pseudobinary heterostructural alloys of ZnO with MgO or CdO are studied by composing the system locally of clusters with varying ratio of cations. We investigate fourfold (wurtzite…