The surface energy of metals (Q59443824)

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A.V. Ruban

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H.L. Skriver

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J. Kollár

Trends of the surface relaxations, surface energies, and work functions of the 4d transition metals

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publication date

August 1998

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published in

Surface Science

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volume

411

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issue

1-2

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page(s)

186-202

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cites work

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Surface energy and work function of elemental metals

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Surface energy and work function of the light actinides

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Calculated surface-energy anomaly in the 3d metals

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Self-consistent Green's-function technique for surfaces and interfaces

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Full charge-density calculation of the surface energy of metals

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Minimal basis sets in the linear muffin-tin orbital method: Application to the diamond-structure crystals C, Si, and Ge

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Illustration of the linear-muffin-tin-orbital tight-binding representation: Compact orbitals and charge density in Si

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First-principles calculation of the geometric and electronic structure of the Be(0001) surface

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LAPW calculations of Rh(001) surface relaxation

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Surface energy and stress of lead (111) and (110) surfaces

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Accurate and simple analytic representation of the electron-gas correlation energy

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Ground State of the Electron Gas by a Stochastic Method

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Optimized l-convergency in the solution of Poisson's equation with space-filling cells.

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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

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Liquid-drop model for crystalline metals: Vacancy-formation, cohesive, and face-dependent surface energies

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First-principles total-energy study of hydrogen adsorption on Be(0001)

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First-principles calculation of the Mg(0001) surface relaxation

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Relaxation of hcp(0001) surfaces: A chemical view

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Nonconvergence of surface energies obtained from thin-film calculations

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Vacancy-formation energies at the (111) surface and in bulk Al, Cu, Ag, and Rh

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Electronic structure, surface states, surface energy, and work function of the Cu(100) surface

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First-principles calculations of the surface relaxation and electronic structure of Zr(0001)

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Structural properties of the Ru(0001) surface

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Ferromagnetism of the Rh(001) surface

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Au(111): A theoretical study of the surface reconstruction and the surface electronic structure

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First-principles determination of equilibrium crystal shapes for metals at T=0

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First-principles interatomic potentials for transition-metal surfaces

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Simple theories for simple metals: Face-dependent surface energies and work functions

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