uu.seUppsala University Publications
Change search
ReferencesLink to record
Permanent link

Direct link
First-principles study of the lattice instabilities in Mn2NiX (X = Al, Ga, In, Sn) magnetic shape memory alloys
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
2015 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 27, no 3, 035401- p.Article in journal (Refereed) Published
Abstract [en]

Using first-principles based density functional theory, we have investigated the structural instabilities in the austenite phases of Mn2NiX (X = Al, Ga, In, Sn) magnetic shape memory alloys. A complete softening is observed in the acoustic TA(2) branches for all the materials along [xi xi 0] directions leading to instability in the austenite structure which effectively stabilizes into martensitic structure. The reasons behind this softening are traced back to the repulsion from the optical T-2g branches and to the nesting features in the Fermi surfaces. The vibrational density of states, the force constants and the elastic moduli are also computed and analyzed, which reconfirm the underlying mechanism behind the instabilities. The results indicate that the phonon anomalies are related to the occurrence of possible pre-martensitic phases which can be quite complex.

Place, publisher, year, edition, pages
2015. Vol. 27, no 3, 035401- p.
Keyword [en]
shape memory alloys, lattice dynamics, Fermi surface
National Category
Other Physics Topics
URN: urn:nbn:se:uu:diva-245358DOI: 10.1088/0953-8984/27/3/035401ISI: 000348493400009PubMedID: 25537964OAI: oai:DiVA.org:uu-245358DiVA: diva2:791382
Available from: 2015-02-27 Created: 2015-02-26 Last updated: 2015-02-27Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textPubMed

Search in DiVA

By author/editor
Sanyal, Biplab
By organisation
Materials Theory
In the same journal
Journal of Physics: Condensed Matter
Other Physics Topics

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 572 hits
ReferencesLink to record
Permanent link

Direct link