Self-consistent localized KKR scheme for surfaces and interfaces
- 15 January 1994
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 49 (4) , 2721-2729
- https://doi.org/10.1103/physrevb.49.2721
Abstract
A Green’s-function technique is presented that describes the electronic properties of surfaces and interfaces in the framework of multiple-scattering theory as based on localized structure constants. Results of self-consistent calculations are presented for the Cu (111), (110), and (100) surfaces. The obtained surface densities of states and work functions are in good agreement with previous calculations.Keywords
This publication has 26 references indexed in Scilit:
- Fe on Au(001): magnetism and band formationJournal of Physics: Condensed Matter, 1993
- Self-consistent Green’s-function method for surfaces of random alloysPhysical Review B, 1993
- A fast real-space method for determining tight-binding linear muffin-tin orbital two-centre integralsJournal of Physics: Condensed Matter, 1992
- Solution of Poisson’s equation for arbitrarily shaped overlapping or nonoverlapping charge densities in terms of multipole momentsPhysical Review B, 1992
- Self-consistent Green’s-function technique for surfaces and interfacesPhysical Review B, 1991
- Electronic and magnetic structure of {111} stacking faults in nickelPhysical Review B, 1991
- Multiple-scattering Green-function method for electronic-structure calculations of surfaces and coherent interfacesPhysical Review B, 1990
- On the calculation of the surface Green function by the tight-binding linear muffin-tin orbital methodJournal of Physics: Condensed Matter, 1989
- Multiple-scattering solutions to the Schrödinger equation for semi-infinite layered materialsPhysical Review B, 1989
- Explicit, First-Principles Tight-Binding TheoryPhysical Review Letters, 1984