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Structural, elastic, and high-pressure properties of cubic TiC, TiN, and TiO
Uppsala University.
Uppsala University.
Uppsala University.
Uppsala University.
1996 (English)In: PHYSICAL REVIEW B-CONDENSED MATTER, Vol. 53, no 6, 3072-3079 p.Article in journal (Other scientific) Published
Abstract [en]

We have studied the structural and elastic properties of TiC, TiN, and TiO by means of accurate first principles total-energy calculations using the full potential linear muffin-tin orbital method. The calculations are based on the density functional theo

Place, publisher, year, edition, pages
AMER INST PHYSICS , 1996. Vol. 53, no 6, 3072-3079 p.
Keyword [en]
GENERALIZED GRADIENT APPROXIMATION; BRILLOUIN-ZONE; SPECIAL POINTS; ENERGY; TITANIUM; EXCHANGE; BAND; INDENTATION; CONSTANTS; CARBIDES
Identifiers
URN: urn:nbn:se:uu:diva-75176OAI: oai:DiVA.org:uu-75176DiVA: diva2:103086
Note
Addresses: Ahuja R, UPPSALA UNIV, DEPT PHYS, CONDENSED MATTER THEORY GRP, BOX 530, S-75121 UPPSALA, SWEDEN. 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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