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First Principle Analysis of the Magnetism and Electronic Structure of Fe2XSi (X=Ti, V)
The electronic, magnetic, and mechanical properties of Fe2XSi, where X is titanium (Ti) and vanadium (V), are investigated using computational methods. Volume optimization reveals that the ground state of Fe2TiSi is a nonmagnetic narrow-band gap semiconductor, and that of Fe2VSi is a ferrimagnetic m
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