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On the semiconducting state and structural properties of YH3 from first principles theory
Uppsala University.
Uppsala University.
Uppsala University.
Uppsala University.
1997 (English)In: APPLIED PHYSICS LETTERS, ISSN 0003-6951, Vol. 71, no 24, 3498-3500 p.Article in journal (Other scientific) Published
Abstract [en]

With the use of first principles theory we confirm the semiconducting ground state of the technologically interesting YH3 compound. Thus, unlike previously published theories, we demonstrate that density functional theory in the local density approximatio

Place, publisher, year, edition, pages
AMER INST PHYSICS , 1997. Vol. 71, no 24, 3498-3500 p.
Keyword [en]
CRYSTAL-STRUCTURE; BAND; TRIHYDRIDE; YTTRIUM; SYSTEMS
Identifiers
URN: urn:nbn:se:uu:diva-72086OAI: oai:DiVA.org:uu-72086DiVA: diva2:99997
Note
Addresses: Ahuja R, UNIV UPPSALA, DEPT PHYS, CONDENSED MATTER THEORY GRP, S-75121 UPPSALA, SWEDEN. LOS ALAMOS NATL LAB, CTR MAT SCI, LOS ALAMOS, NM 87545. LOS ALAMOS NATL LAB, DIV THEORET, LOS ALAMOS, NM 87545.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-15

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