First-principles investigation of Mg substitution for Ga on martensitic transformation, magnetism and electronic structures in Ni2MnGa
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2020.156049
Abstract: Abstract The impact of Mg substitution for Ga on the crystal structure, phase stability, magnetism, and electronic structures in the Ni2MnGa1-xMgx (x = 0, 0.25, 0.5, 0.75 and 1) alloys were studied by first-principles calculation. Unlike the… read more here.
Keywords: electronic structures; magnetism electronic; substitution; first principles ... See more keywords
4-d magnetism: Electronic structure and magnetism of some Mo-based alloys
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2016.09.045
Abstract: Abstract We report results of a first-principles density-functional study of alloys of the 4 d -element Mo with group IV elements Si, Ge and Sn in zinc blende (ZB) and rock salt (RS) structures. The… read more here.
Keywords: magnetism; electronic structure; magnetism electronic; structure magnetism ... See more keywords
Interface magnetism and electronic structure: ZnO(0001)/ Co 3 O 4 (111)
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DOI: 10.1103/physrevb.97.125304
Abstract: We have studied the structural, electronic and magnetic properties of spinel $\rm Co_3O_4$(111) surfaces and their interfaces with ZnO (0001) using density functional theory (DFT) within the Generalized Gradient Approximation with on-site Coulomb repulsion term… read more here.
Keywords: interface; zno 0001; magnetism electronic; interface magnetism ... See more keywords