منابع مشابه
EXCHANGE INTERACTIONS AND MAGNETIC ANISOTROPY IN THE “Ni4” MAGNETIC MOLECULE
Magnetic properties of a tetrahedral “Ni4” molecule are discussed in terms of the Heisenberg model, with magnetic anisotropy terms included, and on the basis of first-principle calculations within the density functional theory. It is shown that the isotropic Heisenberg model does not provide an adequate description of magnetization at low temperatures; an inclusion of single-site anisotropy ter...
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A first-principles approach to magnetic properties of diluted magnetic semiconductors (DMS) is presented that is based on the local spin-density approximation (LSDA) as implemented in the framework of the tight-binding linear muffin-tin orbital method, while the effect of randomness is described by the coherent potential approximation. Application of a real-space Greenfunction formalism yields ...
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Accurate ab initio full-potential augmented plane wave (FP-LAPW) electronic calculations within generalized gradient approximation have been performed for Mn doped ZnSnAs2 chalcopyrites, focusing on their electronic and magnetic properties as a function of the geometry related to low Mn-impurity concentration and the spin magnetic alignment (i.e., ferromagnetic vs antiferromagnetic). As expecte...
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ژورنال
عنوان ژورنال: Physical Review Research
سال: 2020
ISSN: 2643-1564
DOI: 10.1103/physrevresearch.2.043357