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The surface energy of metals

Surface science, 1998-08, Vol.411 (1-2), p.186-202

1998

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Combined electronic structure and evolutionary search approach to materials design

Physical review letters, 2002-06, Vol.88 (25 Pt 1), p.255506-255506, Article 255506

2002

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Anode Materials for Low-Temperature Fuel Cells: A Density Functional Theory Study

Journal of catalysis, 2001-04, Vol.199 (1), p.123-131

2001

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Surface electronic structure and reactivity of transition and noble metals

Journal of molecular catalysis. A, Chemical, 1997-02, Vol.115 (3), p.421-429

1997

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Application of the exact muffin-tin orbitals theory: the spherical cell approximation

Computational materials science, 2000, Vol.18 (1), p.24-38

2000

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Atomic and magnetic configurational energetics by the generalized perturbation method

Physical review. B, Condensed matter and materials physics, 2004, Vol.70 (12), p.125115.1-125115.19, Article 125115

2004

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Calculated surface segregation in transition metal alloys

Computational materials science, 1999-06, Vol.15 (2), p.119-143

1999

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Surface segregation energies in transition-metal alloys

Physical review. B, Condensed matter, 1999-06, Vol.59 (24), p.15990-16000

1999

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The formation energy for steps and kinks on cubic transition metal surfaces

Surface science, 1999-04, Vol.425 (2-3), p.212-223

1999

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Ab initio surface core-level shifts and surface segregation energies

Physical review letters, 1993-10, Vol.71 (15), p.2449-2452

1993

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Surface energy and magnetism of the 3d metals

Surface science, 1994-08, Vol.315 (1), p.157-172

1994

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Local lattice relaxations in random metallic alloys: Effective tetrahedron model and supercell approach

Physical review. B, Condensed matter, 2003-06, Vol.67 (21), Article 214302

2003

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Screened Coulomb interactions in metallic alloys. II. Screening beyond the single-site and atomic-sphere approximations

Physical review. B, Condensed matter, 2002-07, Vol.66 (2), Article 024202

2002

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Exchange energy in the local Airy gas approximation

Physical review. B, Condensed matter, 2000-10, Vol.62 (15), p.10046-10050

2000

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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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Calculated surface-energy anomaly in the 3d metals

Physical review letters, 1992-10, Vol.69 (15), p.2296-2298

1992

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Calculated oscillation periods of the interlayer coupling in Fe/Cr/Fe and Fe/Mo/Fe sandwiches

Physical review. B, Condensed matter, 1996-09, Vol.54 (9), p.6382-6392

1996

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Kinetic-energy functionals studied by surface calculations

Physical review. B, Condensed matter, 1998-05, Vol.57 (19), p.12611-12615

1998

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Locally self-consistent Green’s function approach to the electronic structure problem

Physical review. B, Condensed matter, 1997, Vol.56 (15), p.9319-9334

1997

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Deep layer-resolved core-level shifts in the beryllium surface

Physical review letters, 1993-10, Vol.71 (15), p.2457-2460

1993

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Calculated oscillation periods of exchange coupling in Fe/Cr/Fe sandwiches

Solid state communications, 1993-10, Vol.88 (4), p.331-335

1993

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Calculated site substitution in γ'-Ni3Al

Solid state communications, 1996-09, Vol.99 (11), p.813-817

1996

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Crystal-Structure Contribution to the Solid Solubility in Transition Metal Alloys

Physical review letters, 1998-02, Vol.80 (6), p.1240-1243

1998

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Magnetic interlayer coupling and interaction between interface states in a quantum-well system

Journal of physics. Condensed matter, 1999-02, Vol.11 (4), p.975-988

1999

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Pareto-optimal alloys

Applied physics letters, 2003-12, Vol.83 (22), p.4527-4529

2003

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The surface energy of metals

Combined electronic structure and evolutionary search approach to materials design

Anode Materials for Low-Temperature Fuel Cells: A Density Functional Theory Study

Surface electronic structure and reactivity of transition and noble metals

Application of the exact muffin-tin orbitals theory: the spherical cell approximation

Atomic and magnetic configurational energetics by the generalized perturbation method

Calculated surface segregation in transition metal alloys

Surface segregation energies in transition-metal alloys

The formation energy for steps and kinks on cubic transition metal surfaces

Ab initio surface core-level shifts and surface segregation energies

Surface energy and magnetism of the 3d metals

Local lattice relaxations in random metallic alloys: Effective tetrahedron model and supercell approach

Screened Coulomb interactions in metallic alloys. II. Screening beyond the single-site and atomic-sphere approximations

Exchange energy in the local Airy gas approximation

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

Calculated surface-energy anomaly in the 3d metals

Calculated oscillation periods of the interlayer coupling in Fe/Cr/Fe and Fe/Mo/Fe sandwiches

Kinetic-energy functionals studied by surface calculations

Locally self-consistent Green’s function approach to the electronic structure problem

Deep layer-resolved core-level shifts in the beryllium surface

Calculated oscillation periods of exchange coupling in Fe/Cr/Fe sandwiches

Calculated site substitution in γ'-Ni3Al

Crystal-Structure Contribution to the Solid Solubility in Transition Metal Alloys

Magnetic interlayer coupling and interaction between interface states in a quantum-well system

Pareto-optimal alloys

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