Search Results - "Amolo, G.O."
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First-principle calculations of the bulk properties of 4d transition metal carbides and nitrides in the rocksalt, zincblende and wurtzite structures
Published in Diamond and related materials (01-02-2011)“…Bulk properties and stability of the entire series of group 4d transition metal carbides and nitrides are reported in this work. The theoretical calculations…”
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Journal Article -
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Metal–semiconductor ohmic contacts: An ab initio Density Functional Theory study of the structural and electronic properties of metal–diamond (111)-(1×1) interfaces
Published in Diamond and related materials (01-03-2012)“…Metal contacts on clean, hydrogenated and oxygenated diamond surfaces have been studied using ab initio Density Functional Theory (DFT). Five metals, i.e.,…”
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The impact of anionic vacancies on the mechanical properties of NbC and NbN: An ab initio study
Published in Computational materials science (15-02-2022)“…[Display omitted] The development of super-hard materials has recently focused on systems containing heavy transition metal and light non-metallic elements…”
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Elastic and thermal properties of selected 211 MAX phases: A DFT study
Published in Computational Condensed Matter (01-06-2024)“…MAX phases are a class of ternary materials that have continued to play a key role in the field of materials science due to their unique properties that bridge…”
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Hardness characterization parameters of Niobium Carbide and Niobium Nitride: A first principles study
Published in Materials chemistry and physics (01-05-2019)“…Niobium carbides and nitrides have been proposed as potential candidates for hardness and related applications, however, comprehensive studies are still needed…”
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Adhesion of electrodes on diamond (111) surface: A DFT study
Published in Diamond and related materials (01-01-2018)“…We explore possible candidates for metallic electrodes of diamond semiconductor from twenty kinds of metallic sheets on oxygen- or hydrogen-terminated diamond…”
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First-principles calculations of the elastic constants of the cubic, orthorhombic and hexagonal phases of BaF2
Published in Physica. B, Condensed matter (01-02-2014)“…All the elastic constants of cubic, orthorhombic and hexagonal phases of BaF2 have been calculated using first principles methods. We have employed…”
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First-principle calculations of the bulk properties of 4 d transition metal carbides and nitrides in the rocksalt, zincblende and wurtzite structures
Published in Diamond and related materials (2011)“…Bulk properties and stability of the entire series of group 4 d transition metal carbides and nitrides are reported in this work. The theoretical calculations…”
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Journal Article -
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Ab-initio calculation of formation and migration energies of intrinsic defects in BaF2
Published in Solid state communications (01-02-2014)“…We have performed ab-initio calculations of the formation and migration energies of intrinsic defects (interstitials, vacancies and Frenkel defects) in barium…”
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Raman and optical absorption studies of proton bombarded CsI
Published in Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms (01-09-2006)“…CsI single crystals, which have the simple cubic structure, have been bombarded with 1MeV protons at a temperature close to 300K. Optical absorption and Raman…”
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Ion beam induced defects in solids studied by optical techniques
Published in Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms (15-08-2009)“…Optical methods can provide important insights into the mechanisms and consequences of ion beam interactions with solids. This is illustrated by four…”
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Studies of defects in photonic materials
Published in Physica. B, Condensed matter (01-12-2009)“…Indium tin oxide (ITO) films have high optical transmission and infrared reflectance, good electrical conductivity, excellent substrate adherence, hardness and…”
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Journal Article Conference Proceeding -
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Effects of Ag+ and Au3+ ion implantation of lithium niobate
Published in Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms (01-09-2006)“…The optical effects of implantation of lithium niobate crystals with 100keV Ag+ and 8MeV Au3+ ions with fluences of 1×1017ions/cm2 have been investigated…”
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Visible and VUV optical absorption studies of Mg-colloids and colour centres in MgF 2 crystals implanted by 100 keV Mg-ions
Published in Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms (2004)“…100 keV Mg ions have been implanted into MgF 2 crystals with a fluence of 10 17 ions/cm 2 at liquid nitrogen temperature. After warming to room temperature…”
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