The electronic structure of Mn2NiGa has been studied using density functional theory and photoemission spectroscopy. The lower-temperature tetragonal martensitic phase with c/a = 1.25 is more stable compared to the higher-temperature austenitic phase. Mn2NiGa is ferrimagnetic in both phases. The calculated valence band spectrum, the optimized lattice constants and the magnetic moments are in good agreement with experiment. The majority-spin Fermi surface (FS) expands in the martensitic phase, while the minority-spin FS shrinks. FS nesting indicates occurrence of phonon softening and modulation in the martensitic phase. Copyright (C) EPLA, 2007.
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Banaras Hindu Univ, Indian Inst Technol, Sch Mat Sci & Technol, Varanasi 221005, IndiaBanaras Hindu Univ, Indian Inst Technol, Sch Mat Sci & Technol, Varanasi 221005, India
Rastogi, Shivani
Shahi, Nisha
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Banaras Hindu Univ, Indian Inst Technol, Sch Mat Sci & Technol, Varanasi 221005, IndiaBanaras Hindu Univ, Indian Inst Technol, Sch Mat Sci & Technol, Varanasi 221005, India
Shahi, Nisha
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Kumar, Vishal
Shukla, Gaurav K.
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Banaras Hindu Univ, Indian Inst Technol, Sch Mat Sci & Technol, Varanasi 221005, IndiaBanaras Hindu Univ, Indian Inst Technol, Sch Mat Sci & Technol, Varanasi 221005, India
Shukla, Gaurav K.
Bhattacharjee, Satadeep
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Indo Korea Sci & Technol Ctr IKST, Bangalore 560065, IndiaBanaras Hindu Univ, Indian Inst Technol, Sch Mat Sci & Technol, Varanasi 221005, India
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Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
US DOE, Ames Natl Lab, Ames, IA 50011 USAIowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
O'Leary, Evan
Wang, Lin-Lin
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Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
US DOE, Ames Natl Lab, Ames, IA 50011 USAIowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
Wang, Lin-Lin
Kushnirenko, Yevhen
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Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
US DOE, Ames Natl Lab, Ames, IA 50011 USAIowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
Kushnirenko, Yevhen
Schrunk, Benjamin
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Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
US DOE, Ames Natl Lab, Ames, IA 50011 USAIowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
Schrunk, Benjamin
Eaton, Andrew
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Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
US DOE, Ames Natl Lab, Ames, IA 50011 USAIowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
Eaton, Andrew
Herrera-Siklody, Paula
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Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USAIowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
Herrera-Siklody, Paula
Bud'ko, Sergey L.
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Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
US DOE, Ames Natl Lab, Ames, IA 50011 USAIowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
Bud'ko, Sergey L.
Canfield, Paul C.
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Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
US DOE, Ames Natl Lab, Ames, IA 50011 USAIowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
Canfield, Paul C.
Kaminski, Adam
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Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
US DOE, Ames Natl Lab, Ames, IA 50011 USAIowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA