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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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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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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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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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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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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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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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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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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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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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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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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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Fast and accurate approximate quasiparticle band structure calculations of ZnO, CdO, and MgO polymorphs

Physical review. B, 2017-01, Vol.95 (4), Article 045126

2017

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Determination of the branch-point energy of InN: Chemical trends in common-cation and common-anion semiconductors

Physical review. B, Condensed matter and materials physics, 2008-01, Vol.77 (4), Article 045316

2008

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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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Universality of electron accumulation at wurtzite c - and a -plane and zinc-blende InN surfaces

Applied physics letters, 2007-08, Vol.91 (9), p.092101-092101-3

2007

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Low-field and high-field electron transport in zinc blende InN

Applied physics letters, 2009-01, Vol.94 (2), p.022102-022102-3

2009

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Spontaneous symmetry breaking and electronic and dielectric properties in commensurate La7/4Sr1/4CuO4 and La5/3Sr1/3NiO4

Physical review. B, 2018-05, Vol.97 (19)

2018

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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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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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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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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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Linear optical properties in the projector-augmented wave methodology

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

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

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

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

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

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

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

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

Do we know the fundamental energy gap of InN?

Origin of electron accumulation at wurtzite InN surfaces

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

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

Fast and accurate approximate quasiparticle band structure calculations of ZnO, CdO, and MgO polymorphs

Determination of the branch-point energy of InN: Chemical trends in common-cation and common-anion semiconductors

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

Universality of electron accumulation at wurtzite c - and a -plane and zinc-blende InN surfaces

Low-field and high-field electron transport in zinc blende InN

Spontaneous symmetry breaking and electronic and dielectric properties in commensurate La7/4Sr1/4CuO4 and La5/3Sr1/3NiO4

Effect of backbond oxidation on silicon nanocrystallites

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

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

Quantum confinement in Si- and Ge-capped nanocrystallites

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

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

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