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The impact of nitrogen content and vacancies on structure and mechanical properties of Mo–N thin films

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      Generalized Gradient Approximation Made Simple

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        Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

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          From ultrasoft pseudopotentials to the projector augmented-wave method

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            Author and article information

            Affiliations
            [1 ]Institute of Materials Science and Technology, TU Wien, Getreidemarkt 9, A-1060 Vienna, Austria
            [2 ]Faculty of Science, Masaryk University, Kotlářská 2, CZ-611 37 Brno, Czech Republic
            [3 ]Department of Physical Metallurgy and Materials Testing, Montanuniversität Leoben, Franz-Josef-Straße 18, Leoben A-8700, Austria
            Journal
            Journal of Applied Physics
            Journal of Applied Physics
            AIP Publishing
            0021-8979
            1089-7550
            November 14 2016
            November 14 2016
            : 120
            : 18
            : 185301
            10.1063/1.4966664
            © 2016

            http://creativecommons.org/licenses/by/4.0/

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