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Prediction of first-order martensitic transitions in strained epitaxial films
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics. IFW Dresden, Germany.ORCID iD: 0000-0001-9317-6205
2015 (English)In: New Journal of Physics, ISSN 1367-2630, E-ISSN 1367-2630, Vol. 17, 023005Article in journal (Refereed) Published
Abstract [en]

Coherent epitaxial growth allows us to produce strained crystalline films with structures that are unstable in the bulk. Thereby, the overlayer lattice parameters in the interface plane, (a, b), determine the minimum-energy out-of-plane lattice parameter, cmin(a, b). We show by means of density-functional total energy calculations that this dependence can be discontinuous and predict related first-order phase transitions in strained tetragonal films of the elements V, Nb, Ru, La, Os, and Ir. The abrupt change of cmin can be exploited to switch properties specific to the overlayer material. This is demonstrated for the example of the superconducting critical temperature of a vanadium film which we predict to jump by 20% at a discontinuity of cmin.

Place, publisher, year, edition, pages
2015. Vol. 17, 023005
Keyword [en]
structural transitions, crystallography, superconducting films, nanoscale materials
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-166354DOI: 10.1088/1367-2630/17/2/023005ISI: 000352864600005Scopus ID: 2-s2.0-84924308275OAI: oai:DiVA.org:kth-166354DiVA: diva2:811144
Note

QC 20150511

Available from: 2015-05-11 Created: 2015-05-07 Last updated: 2017-12-04Bibliographically approved

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Schönecker, Stephan

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