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Title: First-principles exploration for half metallic materials
Keywords: density functional theory, spintronics, half metals, ferromagnetism, dilute magnetic semiconductors, first principles
Issue Date: 16-May-2007
Citation: WU RONGQIN (2007-05-16). First-principles exploration for half metallic materials. ScholarBank@NUS Repository.
Abstract: My research aims to propose potential solutions to the clusteringproblem in conventional dilute magnetic semiconductors (DMSs) and tothe lattice mismatch problem between known half metals and wide gapsemiconductors by density functional theory based calculations.Transition metal monoxides crystalize in rock-salt structure with ananti-ferromagnetic state. However, in my study of Nickel monoxide inwurtzite structure (w-NiO), w-NiO is likely to favor a ferromagneticstate with a half metallic character and its lattice constants arequite close to GaN and ZnO. My study also predicts that Cu can be apotential non-magnetic metal to fabricate DMSs. More aggressively,My study suggests that light elements such as C and N might be usedmight be used to fabricate DMS by anion rather than cationsubstitution in conventional DMSs. These two finding might help tofabricate DMSs out of the clustering problem.
Appears in Collections:Ph.D Theses (Open)

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