Query: title:(Surface Alloys and Alloy Surfaces), Author: Ruban

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title:(Surface Alloys and Alloy Surfaces) Author: Ruban

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title:(Surface AND Alloys AND and AND Alloy AND Surfaces)

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10 items by relevance

1 Book chapter

Surface Alloys and Alloy Surfaces

Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet

Chemical Physics of Solid Surfaces — 2002

Year: 2002

Language: English

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2 Journal article

Phase diagrams for surface alloys 10.1103/PhysRevB.56.5822

Christensen, A.; Ruban, A. V.; Stoltze, P.; Jacobsen, K. W.; Skriver, H. L.; Nørskov, J. K.; et al. (1 more)

Physical Review B — 1997, Volume 56, Issue 10, pp. 5822-5834

Year: 1997

Language: English

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3 Journal article

Phase diagrams for surface alloys

Christensen, Asbjørn; Ruban, Andrei; Stoltze, Per; Jacobsen, Karsten Wedel; Skriver, Hans Lomholt; Nørskov, Jens Kehlet; et al. (1 more)

Physical Review B — 1997, Volume 56, Issue 10, pp. 5822-5834

We discuss surface alloy phases and their stability based on surface phase diagrams constructed from the surface energy as a function of the surface composition. We show that in the simplest cases of pseudomorphic overlayers there are four generic classes of systems, characterized by the sign

Year: 1997

Language: English

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4 Journal article

Calculated surface segregation in transition metal alloys 10.1016/S0927-0256(99)00003-8

Ruban, Andrei; Skriver, Hans Lomholt

Computational Materials Science — 1999, Volume 15, Issue 2, pp. 119-143

We outline a combination of numerical techniques which recently has been used to calculate heats of solution, surface energies and segregation energies for a large number of metals and alloys. The basic ingredients are density functional theory, a Green's function approach to the one-electron

Year: 1999

Language: English

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5 Journal article

Surface segregation energies in transition-metal alloys 10.1103/PhysRevB.59.15990

Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet

Physical Review B Condensed Matter — 1999, Volume 59, Issue 24, pp. 15990-16000

to the electrostatic potential and energy. We use the database to establish the major factors which govern surface segregation in transition metal alloys. We find that the calculated trends are well described by Friedel's rectangular state density model and that the few but significant deviations from the simple

Year: 1999

Language: English

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6 Book chapter

Local equilibrium properties of metallic surface alloys 10.1016/S1571-0785(02)80088-8

Ruban, A.V.; Skriver, H.L.; Nørskov, J.K.

Chemical Physics of Solid Surfaces — 2002, Volume 10, pp. 1-29

Year: 2002

Language: English

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7 Journal article

Surface composition of ordered alloys: An off-stoichiometric effect 10.1103/PhysRevB.65.174201

Ruban, Andrei

Physical Review B Condensed Matter — 2002, Volume 65, Issue 17

I predict the existence of an off-stoichiometric effect in ordered alloys in the form of a distinct transition in the surface segregation behavior of alloy components near the bulk stoichiometric composition. It is caused by the discontinuity in the effective chemical potential

Year: 2002

Language: English

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8 Journal article

Surface segregation energies in low-index open surfaces of bimetallic transition metal alloys 10.1016/j.susc.2008.10.029

Nilekar, Anand Udaykumar; Ruban, Andrei V.; Mavrikakis, Manos

Surface Science — 2009, Volume 603, Issue 1, pp. 91-96

We present a database of 24×24 segregation energies of single transition metal impurities in low-index surfaces of transition metal hosts, calculated using the localized self-consistent Green’s function (LSGF) method, in combination with the atomic sphere approximation including a multipole

Year: 2009

Language: English

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9 Journal article

On segregation in multicomponent alloys: Surface segregation in austenite and FeCrCoNiMn alloys 10.1016/j.commatsci.2020.110080

Ruban, A.V.

Computational Materials Science — 2020, Volume 187, pp. 110080

Year: 2020

Language: English

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