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Cited by 251

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

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Skriver, H. L., Rosengaard, N. M.·1991·Physical Review B

Abstract

We have implemented an efficient self-consistent Green's-function technique for calculating ground-state properties of surfaces and interfaces, based on the linear-muffin-tin-orbitals method within the tight-binding representation. In this approach the interlayer interaction is extremely short ranged, and only a few layers close to the interface need be treated self-consistently via a Dyson equation. For semi-infinite jellium, the technique gives work functions and surface energies that are in excellent agreement with earlier calculations. For the bcc(110) surface of the alkali metals, we find surface energies in close agreement with values derived from surface tensions of the liquid metals, and work functions that deviate less than 10% from the experimental values.

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Crossref · 10.1103/physrevb.43.9538

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Metadata

Authors
Skriver, H. L., & Rosengaard, N. M.
Venue
Physical Review B
Published
1991-04-15
Volume
43
Issue
12
Pages
9538-9549
ISSN
  • 0163-1829 (ISSN-L)
  • 1095-3795
OpenAlex
W2004676016
Cited by
251
References
1
FWCI
11.88
Type
journal article
Language
en
Open access
green

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CoChat. (2026). Citation check: Self-consistent Green’s-function technique for surfaces and interfaces. https://app.cochat.ai/papers/10.1103/physrevb.43.9538
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Skriver, H. L., & Rosengaard, N. M. (1991). Self-consistent Green’s-function technique for surfaces and interfaces. Physical Review B. https://doi.org/10.1103/physrevb.43.9538

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