Magnetic interactions in a proposed diluted magnetic semiconductor (Ba1−xKx)(Zn1−yMny)2P2<xref rid="cpb_27_6_067103_fn1" ref-type="fn">*</xref> <fn id="cpb_27_6_067103_fn1"> <label>*</label> Project supported by the National Key Research and Development Program of China (Grant No. 2017YFA0302903), the National Natural Science Foundation of China (Grant Nos. 11774422 and 11774424), the Fundamental Research Funds for the Central Universities, and the Research Funds of Renmin University of China (Grant Nos. 14XNLQ03 and 16XNLQ01). </fn>

Magnetic interactions in a proposed diluted magnetic semiconductor (Ba_1−xK_x)(Zn_1−yMn_y)₂P₂* *

Project supported by the National Key Research and Development Program of China (Grant No. 2017YFA0302903), the National Natural Science Foundation of China (Grant Nos. 11774422 and 11774424), the Fundamental Research Funds for the Central Universities, and the Research Funds of Renmin University of China (Grant Nos. 14XNLQ03 and 16XNLQ01).

Yang Huan-Cheng, Liu Kai^†, Lu Zhong-Yi^‡

(color online) For the 0–4 configuration of (Ba_0.75K_0.25)(Zn_0.944Mn_0.056)₂P₂ at 0 GPa with ferromagnetically coupled Mn–Mn pair in the supercell: (a) Respective partial density of states of Mn and P atoms. The up and down parts of each panel correspond to the spin-up and spin-down channels, respectively. The digits are the atom labels in the supercell. The ‘P-N’ means the nearest-neighboring P atoms to the Mn atom. (b) Top view of the differential charge densities. Ba atoms are omitted for clarity. The orange and cyan isosurfaces show the electron accumulation and loss regions, respectively.