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Title: Martensitic transformation and phase stability of In-doped Ni-Mn-Sn shape memory alloys from first-principles calculations

The effect of the alloying element Indium (In) on the martensitic transition, magnetic properties, and phase stabilities of Ni{sub 8}Mn{sub 6}Sn{sub 2−x}In{sub x} shape memory alloys has been investigated using the first-principles pseudopotential plane-wave method based on density functional theory. The energy difference between the austenitic and martensitic phases was found to increase with increasing In content, which implies an enhancement of the martensitic phase transition temperature (T{sub M}). Moreover, the formation energy results indicate that In-doping increases the relative stability of Ni{sub 8}Mn{sub 6}Sn{sub 2−x}In{sub x} both in austenite and martensite. This results from a reduction in density of states near the Fermi level regions caused by Ni-3d–In-5p hybridization when Sn is replaced by In. The equilibrium equation of state results show that the alloys Ni{sub 8}Mn{sub 6}Sn{sub 2−x}In{sub x} exhibit an energetically degenerated effect for an In content of x = ∼1.5. This implies the coexistence of antiparallel and parallel configurations in the austenite.
Authors:
 [1] ;  [2] ; ; ;  [1] ;  [3]
  1. Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials, Faculty of Physics and Electronic Science, Hubei University, Wuhan 430062 (China)
  2. (China)
  3. Institute of Metal Physics, 620990 Ekaterinburg (Russian Federation)
Publication Date:
OSTI Identifier:
22304387
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 20; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; AUSTENITE; AUSTENITIC STEELS; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; EQUATIONS OF STATE; FERMI LEVEL; FORMATION HEAT; INDIUM ADDITIONS; MAGNETIC PROPERTIES; MANGANESE COMPOUNDS; MARTENSITE; MARTENSITIC STEELS; NICKEL COMPOUNDS; PHASE STABILITY; PHASE TRANSFORMATIONS; SHAPE MEMORY EFFECT; TIN COMPOUNDS; TRANSITION TEMPERATURE; WAVE PROPAGATION