Recent advances in computational technology and algorithms have made it feasible to accurately model the electronic structures of solids by means of density functional theory. The development of hybrid functionals have ...
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 ...
Prinsloo, Linda Charlotta; Boeyens, Jan Christoffel Antonie; Van der Ryst, Maria M.; Webb, Geoffrey(Elsevier, 2012)
Two glass trade beads, one red and one yellow, retrieved from a secure archaeological context on Magoro
Hill, an erstwhile Venda stronghold in South Africa’s Limpopo Province, were analyzed with Raman and
photoluminescence ...
