Ab initio lattice dynamics of CoH and NiH
2011 (English)In: Journal of Alloys and Compounds, ISSN 0925-8388, Vol. 509, S857-S859 p.Article in journal (Refereed) Published
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.
Hydrides, Ab initio, Lattice dynamics, Thermodynamics
Engineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-71800DOI: 10.1016/j.jallcom.2010.09.164ISI: 000295695500077OAI: oai:DiVA.org:liu-71800DiVA: diva2:453993