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Phase stabilities and homogeneity ranges in 4d-transition-metal carbides: A theoretical study - art. no. 134108
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- Hugosson, HW (author)
- Uppsala universitet,Fysiska institutionen,Oorganisk kemi
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- Eriksson, O (author)
- Uppsala universitet,Oorganisk kemi
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- Jansson, Ulf (author)
- Uppsala universitet,Oorganisk kemi,oorganisk kemi
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- (creator_code:org_t)
- 2001
- 2001
- English.
- In: PHYSICAL REVIEW B. - 0163-1829. ; 63:13, s. 134108-
- Journal article (peer-reviewed)
Abstract
Subject headings
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- First-principles full-potential linear muffin-tin orbital calculations have been used to study the 4d-transition-metal cal bides ZrC, NbC, and MoC. The experimental phase diagrams at T = 0 of the refractory compounds ZrC, NbC, and MoC have been reproduced
Subject headings
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
Keyword
- VACANCY INDUCED CHANGES; ELECTRONIC-STRUCTURE; MOLYBDENUM CARBIDE; SUBSTITUTIONAL IMPURITIES; TRANSITION-METALS; TITANIUM CARBIDE; FIRST-PRINCIPLES; BAND-STRUCTURE; ENTHALPIES; ENERGIES
- Inorganic chemistry
- Oorganisk kemi
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- ref (subject category)
- art (subject category)
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- Eriksson, O
- Jansson, Ulf
- Johansson, B
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