Sökning: onr:"swepub:oai:DiVA.org:his-22511" >
Electronic structur...
Electronic structure of metallic superlattices : Mo/V
-
- Papadia, S. (författare)
- Institute of Theoretical Physics, Chalmers University of Technology, Göteborg, Sweden
-
- Karlsson, Krister, 1961- (författare)
- Department of Physics, Chalmers University of Technology, Göteberg, Sweden
-
- Nilsson, P. O. (författare)
- Department of Physics, Chalmers University of Technology, Göteberg, Sweden
-
visa fler...
-
- Jarlborg, T. (författare)
- DPMC, Université de Genève, Switzerland
-
visa färre...
-
(creator_code:org_t)
- 1992-01-15
- 1992
- Engelska.
-
Ingår i: Physical Review B Condensed Matter. - : American Physical Society. - 0163-1829 .- 1095-3795. ; 45:4, s. 1857-1868
- Relaterad länk:
-
https://urn.kb.se/re...
-
visa fler...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- The electronic structure for a metallic superlattice system, Mo/V, has been calculated using the linear muffin-tin orbital method in the atomic-sphere approximation (ASA). Total energies have been calculated in the local-density approximation (LDA). Emphasis has been given to the electronic-density variation in these materials in order to understand hydrogen storage in metallic superlattices. It is found, within effective-medium theory, that the balance between charge transfer at the interfaces and volume changes of the constituents determines preferred hydrogen sites in Mo/V. Total-energy considerations favor a tetragonal distortion of the Mo/V superlattice over a cubic structure. Results for the LDA bands, charge transfer, and density of states are compared to other electronic-structure calculations of metallic superlattices, which gives rise to a consistent picture of electronic effects in these systems. The dependence of the results on the ASA is discussed. © 1992 The American Physical Society.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas