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Figure 5
Electronic structure under uniform strain simulated by changing the lattice constants. (a) The total DOS for the FeMnGa alloy as a function of the lattice constant. As the lattice constant was expanded less than 1% (5.55 Å), a real closed gap was obtained. (b) The corresponding band structure of FeMnGa for a = 5.55 Å based on both the GGA and the LDA + MBJ. |
ISSN: 2052-2525
MATERIALS | COMPUTATION
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