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First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides

Journal of applied physics, 2016-08, Vol.120 (8)

2016

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Electronic structure of transparent oxides with the Tran-Blaha modified Becke-Johnson potential

Journal of physics. Condensed matter, 2012-05, Vol.24 (20), p.205503-205503

2012

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Native point defects in CuIn1−xGaxSe2: hybrid density functional calculations predict the origin of p- and n-type conductivity

2014-09

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Structural and electronic properties of defects at grain boundaries in CuInSe2

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (22), p.14770-14780

2017

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Extension of the basis set of linearized augmented plane wave (LAPW) method by using supplemented tight binding basis functions

The Journal of chemical physics, 2016-07, Vol.145 (1), p.014101-014101

2016

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The origin of p-type conductivity in ZnM2O4 (M = Co, Rh, Ir) spinels

Physical chemistry chemical physics : PCCP, 2014-02, Vol.16 (6), p.2588-2596

2014

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The quasiparticle band structure of zincblende and rocksalt ZnO

Journal of physics. Condensed matter, 2010-03, Vol.22 (12), p.125505-125505

2010

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A novel explanation for the increased conductivity in annealed Al-doped ZnO: an insight into migration of aluminum and displacement of zinc

Physical chemistry chemical physics : PCCP, 2017-10, Vol.19 (40), p.27866-27877

2017

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Electronic structure and band gap of zinc spinel oxides beyond LDA: ZnAl2O4, ZnGa2O4 and ZnIn2O4

New journal of physics, 2011-06, Vol.13, p.063002

2011

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Carbon and nitrogen 1s energy levels in amorphous carbon nitride systems: XPS interpretation using first-principles

Diamond and related materials, 2007-03, Vol.16 (3), p.581-588

2007

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Structural and electronic properties of defects at grain boundaries in CuInSe 2

Physical chemistry chemical physics : PCCP, 2017-06, Vol.19 (22), p.14770-14780

2017

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A simplified approach to the band gap correction of defect formation energies: Al, Ga, and In-doped ZnO

The Journal of physics and chemistry of solids, 2013-01, Vol.74 (1), p.45-50

2013

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First-principles study of carbon impurities in CuInSe2 and CuGaSe2, present in non-vacuum synthesis methods

Journal of applied physics, 2015-01, Vol.117 (1)

2015

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First-principles study of CO and OH adsorption on in-doped ZnO surfaces

The Journal of physics and chemistry of solids, 2019-09, Vol.132, p.172-181

2019

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Ab initio study of shallow acceptors in bixbyite V2O3

Journal of applied physics, 2015-01, Vol.117 (1)

2015

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Perovskite transparent conducting oxides: an ab initio study

Journal of physics. Condensed matter, 2013-10, Vol.25 (41), p.415503-415503

2013

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Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions

Journal of physics. Condensed matter, 2013-01, Vol.25 (3), p.035501-035501

2013

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Casting light on the darkening of colors in historical paintings

Physical review letters, 2013-11, Vol.111 (20), p.208302-208302, Article 208302

2013

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Influence of Al concentration on the optoelectronic properties of Al-doped MgO

Physical review. B, Condensed matter and materials physics, 2012-11, Vol.86 (20), Article 205129

2012

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Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors

Acta crystallographica. Section A, Foundations of crystallography, 2009-01, Vol.65 (1), p.5-17

2009

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Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems: Ab initio study

Physical review. B, Condensed matter and materials physics, 2014-02, Vol.89 (5), Article 054106

2014

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Determination of the mean inner potential in III–V semiconductors, Si and Ge by density functional theory and electron holography

Ultramicroscopy, 2006, Vol.106 (2), p.105-113

2006

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Attracting shallow donors: Hydrogen passivation in (Al,Ga,In)-doped ZnO

Physical review. B, Condensed matter and materials physics, 2012-10, Vol.86 (16), Article 165207

2012

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Origin of magnetism and quasiparticles properties in Cr-doped TiO2

Physical review letters, 2013-03, Vol.110 (13), p.136402-136402

2013

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First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs

Physical review. B, Condensed matter and materials physics, 2005-08, Vol.72 (8), p.085326.1-085326.10

2005

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First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides

Electronic structure of transparent oxides with the Tran-Blaha modified Becke-Johnson potential

Native point defects in CuIn1−xGaxSe2: hybrid density functional calculations predict the origin of p- and n-type conductivity

Structural and electronic properties of defects at grain boundaries in CuInSe2

Extension of the basis set of linearized augmented plane wave (LAPW) method by using supplemented tight binding basis functions

The origin of p-type conductivity in ZnM2O4 (M = Co, Rh, Ir) spinels

The quasiparticle band structure of zincblende and rocksalt ZnO

A novel explanation for the increased conductivity in annealed Al-doped ZnO: an insight into migration of aluminum and displacement of zinc

Electronic structure and band gap of zinc spinel oxides beyond LDA: ZnAl2O4, ZnGa2O4 and ZnIn2O4

Carbon and nitrogen 1s energy levels in amorphous carbon nitride systems: XPS interpretation using first-principles

Structural and electronic properties of defects at grain boundaries in CuInSe 2

A simplified approach to the band gap correction of defect formation energies: Al, Ga, and In-doped ZnO

First-principles study of carbon impurities in CuInSe2 and CuGaSe2, present in non-vacuum synthesis methods

First-principles study of CO and OH adsorption on in-doped ZnO surfaces

Ab initio study of shallow acceptors in bixbyite V2O3

Perovskite transparent conducting oxides: an ab initio study

Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions

Casting light on the darkening of colors in historical paintings

Influence of Al concentration on the optoelectronic properties of Al-doped MgO

Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors

Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems: Ab initio study

Determination of the mean inner potential in III–V semiconductors, Si and Ge by density functional theory and electron holography

Attracting shallow donors: Hydrogen passivation in (Al,Ga,In)-doped ZnO

Origin of magnetism and quasiparticles properties in Cr-doped TiO2

First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs

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