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Linear optical properties in the projector-augmented wave methodology

Physical review. B, Condensed matter and materials physics, 2006-01, Vol.73 (4), Article 045112

2006

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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Computational materials science, 1996-07, Vol.6 (1), p.15-50

1996

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Quasiparticle band structures of the antiferromagnetic transition-metal oxides MnO, FeO, CoO, and NiO

Physical review. B, Condensed matter and materials physics, 2009-06, Vol.79 (23), Article 235114

2009

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Ab initio theory of excitons and optical properties for spin-polarized systems: Application to antiferromagnetic MnO

Physical review. B, Condensed matter and materials physics, 2008-05, Vol.77 (18), Article 184408

2008

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Band structures and optical spectra of InN polymorphs : Influence of quasiparticle and excitonic effects

Physical review. B, Condensed matter and materials physics, 2005-11, Vol.72 (20), p.205106.1-205106.14, Article 205106

2005

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Do we know the fundamental energy gap of InN?

Journal of crystal growth, 2002-12, Vol.246 (3), p.315-319

2002

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Dielectric tensor of monoclinic Ga2O3 single crystals in the spectral range 0.5–8.5 eV

APL materials, 2015-10, Vol.3 (10), p.106106-106106-9

2015

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Accurate band gaps of AlGaN, InGaN, and AlInN alloys calculations based on LDA-1/2 approach

Applied physics letters, 2011-04, Vol.98 (15), p.151907-151907-3

2011

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Branch-point energies and band discontinuities of III-nitrides and III-/II-oxides from quasiparticle band-structure calculations

Applied physics letters, 2009-01, Vol.94 (1)

2009

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Origin of electron accumulation at wurtzite InN surfaces

Physical review. B, Condensed matter and materials physics, 2004-05, Vol.69 (20), p.201307.1-201307.4, Article 201307

2004

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Absolute surface energies of group-IV semiconductors: Dependence on orientation and reconstruction

Physical review. B, Condensed matter, 2002-03, Vol.65 (11), Article 115318

2002

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Ab initio Force Constant Approach to Phonon Dispersion Relations of Diamond and Graphite

Europhysics letters, 1995-12, Vol.32 (9), p.729-734

1995

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Influence of the composition fluctuations and decomposition on the tunable direct gap and oscillator strength of Ge1-xSnx alloys

Applied physics letters, 2016-02, Vol.108 (9)

2016

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Ab-Initio Studies of Electronic and Spectroscopic Properties of MgO, ZnO and CdO

Journal of the Korean Physical Society, 2008, 53(5), , pp.2811-2815

2008

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Properties of hexagonal polytypes of group-IV elements from first-principles calculations

Physical review. B, Condensed matter, 2002-08, Vol.66 (7), Article 075201

2002

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Quasiparticle bands and spectra of Ga sub(2) O sub(3) polymorphs

Physical review. B, 2016-03, Vol.93 (11)

2016

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Absorption and Emission of Hexagonal InN. Evidence of Narrow Fundamental Band Gap

physica status solidi (b), 2002-02, Vol.229 (3), p.r1-r3

2002

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Intrinsic spin Hall conductivity in one-, two-, and three-dimensional trivial and topological systems

Physical review. B, 2016-08, Vol.94 (8), Article 085410

2016

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Dimer reconstruction and electronic surface states on clean and hydrogenated diamond (100) surfaces

Physical review. B, Condensed matter, 1996-03, Vol.53 (11), p.7334-7351

1996

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Effect of backbond oxidation on silicon nanocrystallites

Physical review. B, Condensed matter and materials physics, 2004-07, Vol.70 (3), p.033311.1-033311.4, Article 033311

2004

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Ground‐ and excited‐state properties of DNA base molecules from plane‐wave calculations using ultrasoft pseudopotentials

Journal of computational chemistry, 2004-01, Vol.25 (1), p.112-122

2004

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Chemisorption of H on Pd(111): An ab initio approach with ultrasoft pseudopotentials

Physical review. B, Condensed matter, 1996-07, Vol.54 (3), p.2157-2166

1996

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Ultrasoft pseudopotentials applied to magnetic Fe, Co, and Ni: From atoms to solids

Physical review. B, Condensed matter, 1997-12, Vol.56 (24), p.15629-15646

1997

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Quantum confinement in Si- and Ge-capped nanocrystallites

Physical review. B, Condensed matter and materials physics, 2005-07, Vol.72 (4), p.045351.1-045351.8, Article 045351

2005

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Long-range surface reconstruction: Si(110)-(16 × 2)

Physical review letters, 2004-09, Vol.93 (13), p.136104.1-136104.4

2004

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Linear optical properties in the projector-augmented wave methodology

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Quasiparticle band structures of the antiferromagnetic transition-metal oxides MnO, FeO, CoO, and NiO

Ab initio theory of excitons and optical properties for spin-polarized systems: Application to antiferromagnetic MnO

Band structures and optical spectra of InN polymorphs : Influence of quasiparticle and excitonic effects

Do we know the fundamental energy gap of InN?

Dielectric tensor of monoclinic Ga2O3 single crystals in the spectral range 0.5–8.5 eV

Accurate band gaps of AlGaN, InGaN, and AlInN alloys calculations based on LDA-1/2 approach

Branch-point energies and band discontinuities of III-nitrides and III-/II-oxides from quasiparticle band-structure calculations

Origin of electron accumulation at wurtzite InN surfaces

Absolute surface energies of group-IV semiconductors: Dependence on orientation and reconstruction

Ab initio Force Constant Approach to Phonon Dispersion Relations of Diamond and Graphite

Influence of the composition fluctuations and decomposition on the tunable direct gap and oscillator strength of Ge1-xSnx alloys

Ab-Initio Studies of Electronic and Spectroscopic Properties of MgO, ZnO and CdO

Properties of hexagonal polytypes of group-IV elements from first-principles calculations

Quasiparticle bands and spectra of Ga sub(2) O sub(3) polymorphs

Absorption and Emission of Hexagonal InN. Evidence of Narrow Fundamental Band Gap

Intrinsic spin Hall conductivity in one-, two-, and three-dimensional trivial and topological systems

Dimer reconstruction and electronic surface states on clean and hydrogenated diamond (100) surfaces

Effect of backbond oxidation on silicon nanocrystallites

Ground‐ and excited‐state properties of DNA base molecules from plane‐wave calculations using ultrasoft pseudopotentials

Chemisorption of H on Pd(111): An ab initio approach with ultrasoft pseudopotentials

Ultrasoft pseudopotentials applied to magnetic Fe, Co, and Ni: From atoms to solids

Quantum confinement in Si- and Ge-capped nanocrystallites

Long-range surface reconstruction: Si(110)-(16 × 2)

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