Transformation Paths from Cubic to Low-Symmetry Structures in Heusler Ni2MnGa Compound

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F18%3A10387932" target="_blank" >RIV/00216208:11320/18:10387932 - isvavai.cz</a>

Alternative codes found

RIV/68378271:_____/18:00499518 RIV/00216305:26210/18:PU127852

Result on the web

<a href="https://doi.org/10.1038/s41598-018-25598-z" target="_blank" >https://doi.org/10.1038/s41598-018-25598-z</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1038/s41598-018-25598-z" target="_blank" >10.1038/s41598-018-25598-z</a>

Result language

angličtina

Original language name

Transformation Paths from Cubic to Low-Symmetry Structures in Heusler Ni2MnGa Compound

Original language description

In order to explain the formation of low-temperature phases in stoichiometric Ni2MnGa magnetic shape memory alloy, we investigate the phase transformation paths from cubic austenite with Heusler structure to low-symmetry martensitic structures. We used ab initio calculations combined with the generalized solid state nudged elastic band method to determine the minimum energy path and corresponding changes in crystal lattice. The four-, five-, and seven-layered modulated phases of martensite (4O, 10M, and 14M) are built as the relaxed nanotwinned non-modulated (NM) phase. Despite having a total energy larger than the other martensitic phases, the 10M phase will spontaneously form at 0 K, because there is no energy barrier on the path and the energy decreases with a large negative slope. Moreover, a similar negative slope in the beginning of path is found also for the transformation to the 6M premartensite, which appears as a local minimum on the path leading further to 10M martensite. Transformation paths to other structures exhibit more or less significant barriers in the beginning hindering such a transformation from austenite. These findings correspond to experiment and demonstrates that the kinetics of the transformation is decisive for the selection of the particular low-symmetry structure.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2018

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Scientific Reports

ISSN

2045-2322

e-ISSN

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Volume of the periodical

8

Issue of the periodical within the volume

May 2018

Country of publishing house

GB - UNITED KINGDOM

Number of pages

8

Pages from-to

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UT code for WoS article

000431627300052

EID of the result in the Scopus database

2-s2.0-85046873232