Effect of disorder on the magnetic properties of cubic Mn2Ru x Ga compounds: A first- principles study
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First Principle Study of MC (M= Al, Ga, and In) at Equilibrium and under Negative Stress
The electronic and magnetic properties of the hypothetical compounds of MC (M=Al, Ga and In) are investigated by using first-principle calculations and pseudopotential plane wave self-consistent field method based on density functional theory. In order to find the most stable phase of MC (M=Al, Ga and In), we study them in zinc-blende (ZB), rocksalt (RS), wurtzite and NiAs crystal structures. W...
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تاریخ انتشار 2014