期刊
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
卷 73, 期 11, 页码 2952-2954出版社
PHYSICAL SOC JAPAN
DOI: 10.1143/JPSJ.73.2952
关键词
materials design; ab initio calculation; alkaline-earth metal oxide; p-impurity band; ferromagnetism without transition metal elements
We propose materials design to fabricate a new class of diluted magnetic semiconductors (DMSs) based on MgO, SrO and BaO without magnetic elements. Replacing the oxygen atoms by other atoms such as C atoms leads to the induction of a deep-impurity band. These materials show ferromagnetic behaviour if the impurity-band width (W) and the electron-correlation energy (U) satisfy the conditions of a highly correlated electron system (U > W). Based on first-principles calculations, we demonstrate that these materials could satisfy Stoner's condition, and could be new candidates for transparent and half-metallic ferromagnetic DMSs without any magnetic elements.
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