First-principles calculations for defects and impurities: Applications to III-nitrides
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Non-equilibrium processing leads to record high thermoelectric figure of merit in PbTe-SrTeDopant-vacancy binding effects in Li-doped magnesium hydrideLimits to doping in oxidesSuppression of compensating native defect formation during semiconductor processing via excess carriersDysprosium-doped cadmium oxide as a gateway material for mid-infrared plasmonics.Ag-Mg antisite defect induced high thermoelectric performance of α-MgAgSb.THz Acoustic Spectroscopy by using Double Quantum Wells and Ultrafast Optical Spectroscopy.Improved p-type conductivity in Al-rich AlGaN using multidimensional Mg-doped superlatticesConstructing metallic nanoroads on a MoS₂ monolayer via hydrogenation.Electron traps and their effect on the surface chemistry of TiO2(110).Quantum computing with defects.Reducing Mg acceptor activation-energy in Al(0.83)Ga(0.17)N disorder alloy substituted by nanoscale (AlN)₅/(GaN)₁ superlattice using Mg(Ga) δ-doping: Mg local-structure effectFree and bound excitonic effects in Al0.5Ga0.5N/Al0.35Ga0.65N MQWs with different Si-doping levels in the well layers.Small hole polaron in CdTe: Cd-vacancy revisited.Defect-Mediated Lithium Adsorption and Diffusion on Monolayer Molybdenum Disulfide.Easily doped p-type, low hole effective mass, transparent oxides.Carrier-induced transient defect mechanism for non-radiative recombination in InGaN light-emitting devicesZn vacancy induced green luminescence on non-polar surfaces in ZnO nanostructuresIntrinsic Defects and H Doping in WO3Density functional theory in materials science.Graphene/nitrogen-functionalized graphene quantum dot hybrid broadband photodetectors with a buffer layer of boron nitride nanosheets.Doping anatase TiO2 with group V-b and VI-b transition metal atoms: a hybrid functional first-principles study.Hydrogen defects in tetragonal ZrO2 studied using density functional theory.Ab initio study of vacancy formation in cubic LaMnO3 and SmCoO3 as cathode materials in solid oxide fuel cells.Epitaxial thin films of pyrochlore iridate Bi2+xIr2-yO7-δ: structure, defects and transport properties.The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximation.Microstructural control of new intercalation layered titanoniobates with large and reversible d-spacing for easy Na+ ion uptake.Localized Tail States and Electron Mobility in Amorphous ZnON Thin Film Transistors.Nondecaying long range effect of surface decoration on the charge state of NV center in diamond.Decomposition mechanism and the effects of metal additives on the kinetics of lithium alanate.The oxygen migration in the apatite-type lanthanum silicate with the cation substitution.Transition levels of defect centers in ZnO by hybrid functionals and localized basis set approach.Correlated compositions, structures, and photoluminescence properties of gallium nitride nanoparticles.Theoretical prediction of p-type transparent conductivity in Zn-doped TiO2.Controlling the magnetic and optical responses of a MoS2 monolayer by lanthanide substitutional doping: a first-principles study.Designing flexible 2D transition metal carbides with strain-controllable lithium storage.The particle-size dependence of the activation energy for decomposition of lithium amide.First-principles study of the formation and migration of native defects in LiNH2BH3.Mechanism of visible-light photocatalysis in nitrogen-doped TiO₂.Phase stability and defect physics of a ternary ZnSnN(2) semiconductor: first principles insights.
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P2860
First-principles calculations for defects and impurities: Applications to III-nitrides
description
im April 2004 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована у квітні 2004
@uk
name
First-principles calculations for defects and impurities: Applications to III-nitrides
@en
First-principles calculations for defects and impurities: Applications to III-nitrides
@nl
type
label
First-principles calculations for defects and impurities: Applications to III-nitrides
@en
First-principles calculations for defects and impurities: Applications to III-nitrides
@nl
prefLabel
First-principles calculations for defects and impurities: Applications to III-nitrides
@en
First-principles calculations for defects and impurities: Applications to III-nitrides
@nl
P356
P1476
First-principles calculations for defects and impurities: Applications to III-nitrides
@en
P2093
Jörg Neugebauer
P304
P356
10.1063/1.1682673
P577
2004-04-15T00:00:00Z