Ab initio prediction of stable nanotwin double layers and 4O structure in Ni2MnGa
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F16%3A00088757" target="_blank" >RIV/00216224:14740/16:00088757 - isvavai.cz</a>
Alternative codes found
RIV/68378271:_____/16:00478099
Result on the web
<a href="http://journals.aps.org/prb/abstract/10.1103/PhysRevB.94.224108" target="_blank" >http://journals.aps.org/prb/abstract/10.1103/PhysRevB.94.224108</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.94.224108" target="_blank" >10.1103/PhysRevB.94.224108</a>
Alternative languages
Result language
angličtina
Original language name
Ab initio prediction of stable nanotwin double layers and 4O structure in Ni2MnGa
Original language description
The ab initio electronic structure calculations of the Ni2MnGa alloy indicate that the orthorhombic 4O structure exhibits the lowest energy compared to all known martensitic structures. The 4O structure is formed by nanotwin double layers, i.e., oppositely oriented nanotwins consisting of two (101) lattice planes of nonmodulated martensitic structure. It exhibits the lowest occupation of density of states at the Fermi level. The total energy 1.98 meV/atom below the energy of nonmodulated martensite is achieved within structural relaxation by shifting Mn and Ga atoms at the nanotwin boundaries. The same atomic shift can also be found in other martensitic nanotwinned or modulated structures such as 10M and 14M, which indicates the importance of the nanotwin double layer for the stability of these structures. Our discovery shows that the nanotwinning or modulation is a natural property of low-temperature martensitic phases in Ni-Mn-Ga alloys.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review B
ISSN
2469-9950
e-ISSN
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Volume of the periodical
94
Issue of the periodical within the volume
22
Country of publishing house
US - UNITED STATES
Number of pages
6
Pages from-to
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UT code for WoS article
000391009600001
EID of the result in the Scopus database
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