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Effect of generalized gradient corrections on lanthanide cohesive properties
Uppsala University.
Uppsala University.
Uppsala University.
Uppsala University.
1998 (English)In: JOURNAL OF ALLOYS AND COMPOUNDS, ISSN 0925-8388, Vol. 277, 472-475 p.Article in journal (Other scientific) Published
Abstract [en]

We have calculated ab initio, using a full-potential linear muffin-tin orbital method, the equilibrium volumes, the bulk moduli, and the generalized cohesive energies for the entire lanthanide series and barium. Two different approximations to the density

Place, publisher, year, edition, pages
ELSEVIER SCIENCE SA , 1998. Vol. 277, 472-475 p.
Keyword [en]
lanthanides; cohesive properties; density functional calculation; generalized gradient approximation; RARE-EARTH-METALS; TRANSITION-METALS; CRYSTAL-STRUCTURE; BRILLOUIN-ZONE; SPECIAL POINTS; APPROXIMATION; ENERGY; ELECTRON; SYSTEMS; SOLIDS
Identifiers
URN: urn:nbn:se:uu:diva-70545OAI: oai:DiVA.org:uu-70545DiVA: diva2:98456
Note
Addresses: Delin A, Univ Uppsala, Dept Phys, POB 530, S-75121 Uppsala, Sweden. Univ Uppsala, Dept Phys, S-75121 Uppsala, Sweden. Univ Calif Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. Univ Calif Los Alamos Natl Lab, Ctr Mat Sci, Los AlamosAvailable from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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