Structural studies of Ni2+xMn1xGa by powder x-ray diffraction and total energy calculations

S. Banik, R. Ranjan, A. Chakrabarti, S. Bhardwaj, N. P. Lalla, A. M. Awasthi, V. Sathe, D. M. Phase, P. K. Mukhopadhyay, D. Pandey, and S. R. Barman
Phys. Rev. B 75, 104107 – Published 13 March 2007

Abstract

The crystal structure of Ni2+xMn1xGa has been studied as a function of composition (x) by powder x-ray diffraction. For Ni2.24Mn0.75Ga, where one-fourth of the Mn atoms are replaced by Ni, the experimentally determined lattice constants are in good agreement with theoretical equilibrium lattice constants calculated by minimization of total energy using full potential linearized augmented plane-wave method. For 0.15x0.35, a nonmodulated tetragonal martensitic phase is obtained at room temperature, whose lattice constant c increases and a decreases linearly with increasing x following Vegard’s law. A 7M modulated monoclinic phase is obtained for x=0.2 due to annealing. The small width of the hysteresis of the martensitic transition shows its thermoelastic nature that is the characteristic of a shape memory alloy. Phase coexistence is observed for 0.1x0.15 at room temperature, confirming the first-order nature of the martensitic transition.

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  • Received 31 July 2006

DOI:https://doi.org/10.1103/PhysRevB.75.104107

©2007 American Physical Society

Authors & Affiliations

S. Banik1, R. Ranjan2, A. Chakrabarti3, S. Bhardwaj1, N. P. Lalla1, A. M. Awasthi1, V. Sathe1, D. M. Phase1, P. K. Mukhopadhyay4, D. Pandey2, and S. R. Barman1,*

  • 1UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore, 452017 Madhya Pradesh, India
  • 2School of Materials Science and Technology, Banaras Hindu University, Varanasi, 221005 Uttar Pradesh, India
  • 3Raja Ramanna Centre for Advanced Technology, Indore, 452013 Madhya Pradesh, India
  • 4LCMP, S. N. Bose National Centre for Basic Sciences, Kolkata, 700098 West Bengal, India

  • *Electronic address: barman@csr.ernet.in

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Vol. 75, Iss. 10 — 1 March 2007

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