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Plane-wave pseudo-potential methods based on density functional theory are employed to investigate the electronic structures, magnetic properties of newly designed DO3-type XO3 (X=Li, Na, K and Rb) compounds. Result shows they are d0 HM ferromagnets with total magnetic moment of 5.00μB. Importantly, the d0 HM characteristic is originated from the polarization of the p-orbitals of O atoms in these...
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