Magnetic interactions in a proposed diluted magnetic semiconductor (Ba1−xKx)(Zn1−yMny)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). |
(color online) Energy differences per Mn between the FM and AFM states for Ba(Zn0.944Mn0.056)2P2 and (Ba0.75K0.25) (Zn0.944Mn0.056)2P2 as functions of Mn–Mn distances. The data points denote different Mn–Mn pairs in the supercell. The legend ‘one-layer’ means that the Mn–Mn pairs are in the same Zn layer while ‘two-layer’ means they are in different Zn layers. The circles correspond to the 0–1, 0–2, 0–3, 0–4, and 0–6 configurations with increasing Mn–Mn distances while the squares to the 0–0′, 0–1′, 0–2′, 0–3′, 0–4′, and 0–6′ ones. |