Switchable Ni–Mn–Ga Heusler nanocrystals

Zayak, Alexey T.; Beckman, Scott P.; Tiago, Murilo L.; Entel, Peter; Chelikowsky, James R.

doi:10.1063/1.2988189

Title: Switchable Ni–Mn–Ga Heusler nanocrystals

Journal Article · Thu Oct 02 00:00:00 EDT 2008 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.2988189· OSTI ID:1435352

Zayak, Alexey T. ^[1];

^[2]; Tiago, Murilo L. ^[3]; Entel, Peter ^[4]; Chelikowsky, James R. ^[1]

Univ. of Texas, Austin, TX (United States)
Rutgers Univ., Piscataway, NJ (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of Duisburg-Essen, Duisburg (Germany)

Here, we examined bulk-like Heusler nanocrystals using real-space pseudopotentials constructed within density functional theory. The nanocrystals were made of various compositions of Ni-Mn-Ga in the size range from 15 up to 169 atoms. Among these compositions, the closest to the stoichiometric Ni₂MnGa were found to be the most stable. The Ni-based nanocrystals retained a tendency for tetragonal distortion, which is inherited from the bulk properties. Surface effects suppress the tetragonal structure in the smaller Ni-based nanocrystals, while bigger nanocrystals develop a bulk-like tetragonal distortion. We suggest the possibility of switchable Ni-Mn-Ga nanocrystals, which could be utilized for magnetic nano-shape-memory applications.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC05-00OR22725

OSTI ID:: 1435352

Journal Information:: Journal of Applied Physics, Vol. 104, Issue 7; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

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