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Ab initio lattice dynamics of CoH and NiH
National University of Science and Technology MISIS.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics . Linköping University, The Institute of Technology.
National University of Science and Technology MISIS.
2011 (English)In: Journal of Alloys and Compounds, ISSN 0925-8388, E-ISSN 1873-4669, Vol. 509, S857-S859 p.Article in journal (Refereed) Published
Abstract [en]

Ground state parameters and lattice dynamics of CoH and NiH phases are studied by means of the state-of-the-art ab initio pseudopotentials methods. Calculated ground state parameters and phonon DOS are in rather good agreement with available experimental data. No phase transformation for CoH and NiH was found in a wide pressure and temperature range.

Place, publisher, year, edition, pages
Elsevier , 2011. Vol. 509, S857-S859 p.
Keyword [en]
Hydrides, Ab initio, Lattice dynamics, Thermodynamics
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:liu:diva-71800DOI: 10.1016/j.jallcom.2010.09.164ISI: 000295695500077OAI: oai:DiVA.org:liu-71800DiVA: diva2:453993
Available from: 2011-11-04 Created: 2011-11-04 Last updated: 2017-12-08

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Isaev, Eyvas

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