First-Principles Study of Mn-rich Ni-Mn-Ga Alloys: Effect of Disorder on Martensitic Transformation

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First-Principles Study of Mn-rich Ni-Mn-Ga Alloys: Effect of Disorder on Martensitic Transformation

Yulia A. Sokolovskaya, Vladimir V. Sokolovskiy, Mikhail A. Zagrebin, Vasiliy D. Buchelnikov

Abstract. In this work, we study theoretically the effect of chemical and structural disorder on martensitic transformation in Mn-rich Ni-Mn-Ga alloys by first-principles calculations. The both chemical and structural disorders in 16-atom supercell are assumed. For Ni2Mn1+xGa1‒x alloys with 0 < x < 1.5, the staggered crystal structure of martensite with ferromagnetic order is found to be more energetically stable while with a further increase in Mn content the layered crystal structure becomes favorable in martensite phase with ferromagnetic order. Keywords
First-Principles Calculations, Heusler Alloys, Martensitic Transformation, Structural and Chemical Disorder

Published online 11/15/2018, 4 pages
Copyright © 2018 by the author(s)
Published under license by Materials Research Forum LLC., Millersville PA, USA

Citation: Yulia A. Sokolovskaya, Vladimir V. Sokolovskiy, Mikhail A. Zagrebin, Vasiliy D. Buchelnikov, ‘First-Principles Study of Mn-rich Ni-Mn-Ga Alloys: Effect of Disorder on Martensitic Transformation’, Materials Research Proceedings, Vol. 9, pp 118-121, 2018

DOI: http://dx.doi.org/10.21741/9781644900017-22

The article was published as article 22 of the book Shape Memory Alloys

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