Ouma, C.N.M.; Meyer, Walter Ernst(Elsevier, 2014-04)
Density functional theory (DFT) within the generalized gradient approximation (GGA) has been used to study the structural and electronic properties of
Eu3þ defect complexes in GaN under Ga-rich conditions. Two distinct ...
Igumbor, Emmanuel; Ouma, C.N.M.; Webb, Geoffrey; Meyer, Walter Ernst(Elsevier, 2016-01)
In this work, we present ab-initio calculation results of Ge di-interstitials (I2(Ge)) in the framework of the density functional theory (DFT) using the Heyd, Scuseria, and Ernzerhof (HSE) hybrid functional. The formation ...
Ouma, C.N.M.; Meyer, Walter Ernst(Elsevier, 2016-06)
Using both the Perdew–Burke–Ernzerhof (PBE) functional and the hybrid functional of Heyd–Scuseria–
Ernzerhof (HSE06), the metastability of the carbon-substitutional–carbon-interstitial (CsCi) defect in
silicon has been ...
We have investigated the transition pressure pt of bulk GaAs from the zinc-blende (B3) to the rocksalt
(B1) structure using the local-density approximation (LDA), Perdew-Burke-Ernzerhof generalized gradient
approximation ...
