Browsing Physics by Author "Andrew, Richard Charles"

Browsing Physics by Author "Andrew, Richard Charles"

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  • Mapasha, Refilwe Edwin; Molepo, Mahlanga P.; Andrew, Richard Charles; Chetty, Nithaya (IOP Publishing, 2016-02)
    We perform ab initio density functional theory calculations to investigate the energetics, electronic and magnetic properties of isolated stoichiometric and non-stoichiometric substitutional Si complexes in a hexagonal ...
  • Igumbor, Emmanuel; Mapasha, Refilwe Edwin; Andrew, Richard Charles; Meyer, W.E. (Walter Ernst) (Elsevier, 2016-09)
    By means of density functional theory (DFT), using the screened Heyd, Scuseria, and Ernzerhof (HSE06) hybrid functional we present results of the Tm3+Ge-VGe defect complexes in germanium (Ge). The formation energies of ...
  • Andrew, Richard Charles (University of Pretoria, 2013-05-17)
    This study involves the investigation of silicon-carbon systems using ab initio techniques. It was motivated by the search for off-50:50 alloys and a way to quantify the strengths of 2D silicon-carbon materials. The study ...
  • Andrew, Richard Charles (University of Pretoria, 2009-04-16)
    Please read the abstract in the dissertation
  • Andrew, Richard Charles; Mapasha, Refilwe Edwin; Ukpong, Aniekan M.; Chetty, Nithaya (American Physical Society, 2012-03)
    Please read abstract in the article.
  • Andrew, Richard Charles; Mapasha, Refilwe Edwin; Chetty, Nithaya (AIP Publishing LLC, 2013)
    Using first principles methods, we study the mechanical properties of monolayer and bilayer graphene with 50% and 100% coverage of hydrogen. We employ the vdW-DF, vdW-DF-C09x and vdW-DF2-C09x van der Waals functionals ...
  • Obodo, K.O. (Kingsley Onyebuchi); Andrew, Richard Charles; Chetty, Nithaya (American Physical Society, 2011)
    Using density functional methods within the generalized gradient approximation implemented in the QUANTUM ESPRESSO codes, we modify the band offset in a single layer of boronitrene by substituting a double line of carbon ...
  • Igumbor, Emmanuel; Andrew, Richard Charles; Meyer, W.E. (Walter Ernst) (Springer, 2017-02)
    In this work, the results of density functional theory calculations for rare earth (Ce, Pr, Eu, and Er) interstitials in Ge are presented. We employed the hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE06) for ...
  • Andrew, Richard Charles; Braun, Max Willi Hermann; Chetty, Nithaya (Elsevier, 2012-04)
    While Si, C and SiC are very well known materials that have been extensively studied in their multitude of structures and allotropes, there is, surprisingly, a dearth of reliable information for off-50:50 compounds involving ...
  • Mapasha, Refilwe Edwin; Andrew, Richard Charles; Chetty, Nithaya (Elsevier, 2013-10)
    We investigate all hydrogen configurations that exist in a 1 1 unit cell of bilayer graphene at 100% coverage to find the low energy competing configurations using density functional theory (DFT). Other unique ...
  • Andrew, Richard Charles; Salagaram, Trisha; Chetty, Nithaya (Institute of Physics, 2017-02-28)
    A key concept in material science is the relationship between the Bravais lattice, the reciprocal lattice and the resulting Brillouin zones (BZ). These zones are often complicated shapes that are hard to construct and ...