126 citations · 719 across the 23 of their papers we have counts for
11 papers · 1 filter
Electronic and optical properties of boron containing GaN alloys: The role boron atom clustering
Cara-Lena Nies, Thomas P. Sheerin, Stefan Schulz
Boron (B) containing III-nitride materials, such as wurtzite (B,Ga)N alloys, have recently attracted significant interest to tailor the electronic and optical properties of optoele…
Fully analytic valence force fields for the relaxation of group-IV semiconductor alloys: elastic properties of group-IV materials calculated from first principles
Daniel S. P. Tanner, Christopher A. Broderick, Amy C. Kirwan +2
SiGe(C,Sn,Pb) alloys have attracted significant attention as a route to achieve a direct-gap group-IV semiconductor. Using density functional theory (DFT) - e…
Fully analytic valence force field model for the elastic and inner elastic properties of diamond and zincblende crystals
Daniel S. P. Tanner, Miguel A. Caro, Stefan Schulz +1
Using a valence force field model based on that introduced by Martin, we present three related methods through which we analytically determine valence force field parameters. The m…
Comparison of first principles and semi-empirical models of the structural and electronic properties of GeSn alloys
Edmond J. O'Halloran, Christopher A. Broderick, Daniel S. P. Tanner +2
We present and compare three distinct atomistic models -- based on first principles and semi-empirical approaches -- of the structural and electronic properties of GeSn$_{x…
Theoretical analysis of influence of random alloy fluctuations on the opto-electronic properties of site-controlled (111)-oriented InGaAs/GaAs quantum dots
R. Benchamekh, S. Schulz, E. P. O'Reilly
We use an tight-binding model to investigate the electronic and optical properties of realistic site-controlled (111)-oriented InGaAs/GaAs quantum dots. Special atten…
Random alloy fluctuations and structural inhomogeneities in -plane InGaN quantum wells: theory of ground and excited electron and hole states
Daniel S. P. Tanner, Miguel A. Caro, Eoin P. O'Reilly +1
We present a detailed theoretical analysis of the electronic structure of -plane InGaN/GaN quantum wells with indium contents varying between 10\% and 25\%. The electronic struc…