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Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides

Physical review. B, Condensed matter and materials physics, 2008-04, Vol.77 (16), Article 165107

2008

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Band offsets at the Si/SiO2 interface from many-body perturbation theory

Physical review letters, 2008-05, Vol.100 (18), p.186401-186401

2008

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Investigation of the Perovskite KSrX3 (X = Cl and F) Compounds, Examining the Optical, Elastic, Electronic and Structural Properties: FP-LAPW Study

Journal of electronic materials, 2018, Vol.47 (1), p.641-650

2018

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Electronic properties of interfaces and defects from many-body perturbation theory: Recent developments and applications

Physica Status Solidi (b), 2011-02, Vol.248 (2), p.275-289

2011

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Theoretical investigation of dielectric properties of rare earth stillwellite compounds

International journal of modern physics. B, Condensed matter physics, statistical physics, applied physics, 2015-08, Vol.29 (21), p.1550154

2015

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Ab-initio calculations of the electronic and magnetic structures of Co2Cr1−xMnxSi alloys

Journal of magnetism and magnetic materials, 2013-06, Vol.336, p.37-43

2013

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Structural, electronic, vibrational, and dielectric properties of LaBGeO5 from first principles

Journal of applied physics, 2014-02, Vol.115 (7)

2014

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Polarization vortices in germanium telluride nanoplatelets: a theoretical study

Physical review letters, 2009-12, Vol.103 (24), p.247601-247601, Article 247601

2009

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ABINIT: First-principles approach to material and nanosystem properties

Computer physics communications, 2009-12, Vol.180 (12), p.2582-2615

2009

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Electronic structure of the chainlike compound TlSe

Physical review. B, Condensed matter and materials physics, 2004-11, Vol.70 (19), p.195118.1-195118.6, Article 195118

2004

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Mg adsorption on Si(001) surface from first principles

Physical review. B, Condensed matter and materials physics, 2004-03, Vol.69 (12), Article 125417

2004

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DFT study of Rb/Si(1 0 0)-2 × 1 system

Surface science, 2005-06, Vol.583 (2), p.119-125

2005

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Lattice dynamics and specific heat of α -GeTe : Theoretical and experimental study

Physical review. B, Condensed matter and materials physics, 2009-02, Vol.79 (7), Article 075204

2009

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Ab-initio calculations of the electronic and magnetic structures of Co2Cr1−Mn Si alloys

Journal of magnetism and magnetic materials, 2013-06, Vol.336, p.37-43

2013

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Ab-initio calculations of the electronic and magnetic structures of Co(2)Cr(1-x)Mn(x)Si alloys

Journal of magnetism and magnetic materials, 2013-06, Vol.336, p.37-43

2013

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Dynamical, dielectric, and elastic properties of GeTe investigated with first-principles density functional theory

Physical review. B, Condensed matter and materials physics, 2008-11, Vol.78 (20), Article 205203

2008

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Ab initio study of the one-monolayer Sb/Si(0 0 1) interface

Surface science, 2003-06, Vol.532, p.661-665

2003

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Ab initio study of the one-monolayer Sb/Ge [formula omitted] interface

Surface science, 2004-09, Vol.566 (2), p.956-960

2004

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Structural, electronic, vibrational, and dielectric properties of LaBGeO{sub 5} from first principles

Journal of applied physics, 2014-02, Vol.115 (7)

2014

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Electronic properties of interfaces and defects from many-body perturbation feature theory: Recent developments and applications

Physica status solidi. B. Basic research, 2011, Vol.248 (2), p.275-289

2011

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Cs adsorption on Si(001) surface : An ab initio study

Physical review. B, Condensed matter and materials physics, 2005-11, Vol.72 (20), p.205415.1-205415.8, Article 205415

2005

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Band Offsets at the Si / SiO 2 Interface from Many-Body Perturbation Theory

Physical review letters, 2008-05, Vol.100 (18), Article 186401

2008

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DFT study of Rb/Si(100)-2 x 1 system

Surface science, 2005-06, Vol.583 (2-3), p.119-125

2005

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Monte Carlo computer simulation of copper clusters

Physical review. A, Atomic, molecular, and optical physics, 1999-10, Vol.60 (4), p.3053-3057

1999

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Electronic properties of zircon and hafnon from many-body perturbation theory

Physical review. B, Condensed matter and materials physics, 2009-05, Vol.79 (19), Article 195101

2009

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Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides

Band offsets at the Si/SiO2 interface from many-body perturbation theory

Investigation of the Perovskite KSrX3 (X = Cl and F) Compounds, Examining the Optical, Elastic, Electronic and Structural Properties: FP-LAPW Study

Electronic properties of interfaces and defects from many-body perturbation theory: Recent developments and applications

Theoretical investigation of dielectric properties of rare earth stillwellite compounds

Ab-initio calculations of the electronic and magnetic structures of Co2Cr1−xMnxSi alloys

Structural, electronic, vibrational, and dielectric properties of LaBGeO5 from first principles

Polarization vortices in germanium telluride nanoplatelets: a theoretical study

ABINIT: First-principles approach to material and nanosystem properties

Electronic structure of the chainlike compound TlSe

Mg adsorption on Si(001) surface from first principles

DFT study of Rb/Si(1 0 0)-2 × 1 system

Lattice dynamics and specific heat of α -GeTe : Theoretical and experimental study

Ab-initio calculations of the electronic and magnetic structures of Co2Cr1−Mn Si alloys

Ab-initio calculations of the electronic and magnetic structures of Co(2)Cr(1-x)Mn(x)Si alloys

Dynamical, dielectric, and elastic properties of GeTe investigated with first-principles density functional theory

Ab initio study of the one-monolayer Sb/Si(0 0 1) interface

Ab initio study of the one-monolayer Sb/Ge [formula omitted] interface

Structural, electronic, vibrational, and dielectric properties of LaBGeO{sub 5} from first principles

Electronic properties of interfaces and defects from many-body perturbation feature theory: Recent developments and applications

Cs adsorption on Si(001) surface : An ab initio study

Band Offsets at the Si / SiO 2 Interface from Many-Body Perturbation Theory

DFT study of Rb/Si(100)-2 x 1 system

Monte Carlo computer simulation of copper clusters

Electronic properties of zircon and hafnon from many-body perturbation theory

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