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First-principle calculations are employed to study the electronic structures and magnetic properties of XN3 (X=Na, K and Rb) compounds with DO3 structure. It is found that XN3 (X=Na, K and Rb) compounds are d0 half-metals with an integer magnetic moment of 2μB in their ferrimagnetic ground states. It is the spin polarization of p electrons of N elements that leads to an atomic magnetic moment, ferrimagnetism...
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