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Calculation of uniaxial magnetic anisotropy energy of tetragonal and trigonal Fe, Co, and Ni

Physical review. B, Condensed matter and materials physics, 2004, Vol.69 (10), Article 104426

2004

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Comparison between s - and d -electron mediated transport in a photoswitching dithienylethene molecule using ab initio transport methods

Physical review. B, Condensed matter and materials physics, 2011-10, Vol.84 (16), Article 165402

2011

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Effect of Zr on the properties of (TiZr)Ni alloys from first-principles calculations

Physical review. B, Condensed matter and materials physics, 2007-12, Vol.76 (22), p.224201, Article 224201

2007

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Theoretical studies of substitutional impurities in molybdenum carbide

Physical review. B, Condensed matter, 1999-12, Vol.60 (22), p.15123-15130

1999

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Finite-temperature study of itinerant ferromagnetism in Fe, Co, and Ni

Physical review. B, Condensed matter, 1997-06, Vol.55 (22), p.14975-14986

1997

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First-principles calculations of the vacancy formation energy in transition and noble metals

Physical review. B, Condensed matter, 1999, Vol.59 (18), p.11693-11703

1999

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Phase stabilities and structural relaxations in substoichiometric TiC1−x

Physical review. B, Condensed matter, 2001, Vol.63 (16)

2001

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Anomalously enhanced superconductivity and ab initio lattice dynamics in transition metal carbides and nitrides

Physical review. B, Condensed matter and materials physics, 2005-08, Vol.72 (6), Article 064515

2005

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Properties of the fcc Lennard-Jones crystal model at the limit of superheating

Physical review. B, Condensed matter and materials physics, 2007, Vol.76 (6), p.064121, Article 064121

2007

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Quasi ab initio molecular dynamic study of Cu melting

Physical review. B, Condensed matter, 2000, Vol.61 (6), p.3838-3844

2000

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Ab initio study of the elastic anomalies in Pd-Ag alloys

Physical review. B, Condensed matter and materials physics, 2009-02, Vol.79 (8), p.085107, Article 085107

2009

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Xenon melting: Density functional theory versus diamond anvil cell experiments

Physical review. B, Condensed matter and materials physics, 2006, Vol.74 (5), p.054114, Article 054114

2006

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First-principles calculation of superconductivity in hole-doped LiBC: T c = 65 K

Physical review. B, Condensed matter, 2003-07, Vol.68 (2), Article 020504

2003

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Theoretical prediction of a phase transition in gold

Physical review. B, Condensed matter, 2001-04, Vol.63 (21), Article 212101

2001

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Elastic constants of hexagonal transition metals: Theory

Physical review. B, Condensed matter, 1995-06, Vol.51 (24), p.17431-17438

1995

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Fully relativistic spin-polarized exact muffin-tin-orbital method

Physical review. B, Condensed matter and materials physics, 2005-03, Vol.71 (9), p.094415.1-094415.10, Article 094415

2005

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Molecular dynamics of LiF melting

Physical review. B, Condensed matter, 2000, Vol.61 (18), p.11928-11935

2000

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Optical properties of the group-IVB refractory metal compounds

Physical review. B, Condensed matter, 1996-07, Vol.54 (3), p.1673-1681

1996

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Large magnetocrystalline anisotropy in bilayer transition metal phases from first-principles full-potential calculations

Physical review. B, Condensed matter, 2001, Vol.63 (14), Article 144409

2001

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Calculated magneto-optical properties of cubic and tetragonal Fe, Co, and Ni

Physical review. B, Condensed matter, 1999-11, Vol.60 (20), p.14105-14114

1999

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Electronic, bonding, and optical properties of CeO2 and Ce2O3 from first principles

Physical review. B, Condensed matter, 2001-09, Vol.64 (11)

2001

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Delocalization and new phase in americium: Density-functional electronic structure calculations

Physical review. B, Condensed matter, 2000, Vol.61 (12), p.8119-8124

2000

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Theoretical high-pressure studies of Cs metal

Physical review. B, Condensed matter, 2001-01, Vol.63 (1), Article 014102

2001

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Systematic behavior of the hexagonal axial ratio for the d transition metals

Physical review. B, Condensed matter, 1999-03, Vol.59 (9), p.6131-6138

1999

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First-principles calculations of the magnetic anisotropy energy of Fe-V multilayers

Physical review. B, 2002-04, Vol.65 (13), Article 134430

2002

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Calculation of uniaxial magnetic anisotropy energy of tetragonal and trigonal Fe, Co, and Ni

Comparison between s - and d -electron mediated transport in a photoswitching dithienylethene molecule using ab initio transport methods

Effect of Zr on the properties of (TiZr)Ni alloys from first-principles calculations

Theoretical studies of substitutional impurities in molybdenum carbide

Finite-temperature study of itinerant ferromagnetism in Fe, Co, and Ni

First-principles calculations of the vacancy formation energy in transition and noble metals

Phase stabilities and structural relaxations in substoichiometric TiC1−x

Anomalously enhanced superconductivity and ab initio lattice dynamics in transition metal carbides and nitrides

Properties of the fcc Lennard-Jones crystal model at the limit of superheating

Quasi ab initio molecular dynamic study of Cu melting

Ab initio study of the elastic anomalies in Pd-Ag alloys

Xenon melting: Density functional theory versus diamond anvil cell experiments

First-principles calculation of superconductivity in hole-doped LiBC: T c = 65 K

Theoretical prediction of a phase transition in gold

Elastic constants of hexagonal transition metals: Theory

Fully relativistic spin-polarized exact muffin-tin-orbital method

Molecular dynamics of LiF melting

Optical properties of the group-IVB refractory metal compounds

Large magnetocrystalline anisotropy in bilayer transition metal phases from first-principles full-potential calculations

Calculated magneto-optical properties of cubic and tetragonal Fe, Co, and Ni

Electronic, bonding, and optical properties of CeO2 and Ce2O3 from first principles

Delocalization and new phase in americium: Density-functional electronic structure calculations

Theoretical high-pressure studies of Cs metal

Systematic behavior of the hexagonal axial ratio for the d transition metals

First-principles calculations of the magnetic anisotropy energy of Fe-V multilayers

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