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Predicting hardness of covalent/ionic solid solution from first-principles theory
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2007 (English)In: Applied Physics Letters, ISSN 0003-6951, Vol. 91, no 12, 121918- p.Article in journal (Refereed) Published
Abstract [en]

We introduce a hardness formula for the multicomponent covalent and ionic solid solutions. This expression is tested on nitride spinel materials A(3)N(4) (A=C,Si,Ge) and applied to titanium nitrogen carbide (TiN(1-x)C(x) with 0 <= x <= 1), off-stoichiometric transition-metal nitride (TiN(1-x) and VN(1-x) with x <= 0.25), and B-doped semiconductors (C(1-x)B(x), Si(1-x)B(x), and Ge(1-x)B(x) with x <= 0.1). In all cases, the theoretical hardness is in good agreement with experiments.

Place, publisher, year, edition, pages
2007. Vol. 91, no 12, 121918- p.
National Category
Natural Sciences
URN: urn:nbn:se:kth:diva-84618DOI: 10.1063/1.2789708ISI: 000249667200043ScopusID: 2-s2.0-34648826751OAI: diva2:499402
QC 20120306Available from: 2012-02-13 Created: 2012-02-13 Last updated: 2012-03-13Bibliographically approved

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Johansson, BörjeVitos, Levente
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