The origin of ferromagnetism in Pd-doped CdS

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• 作者：Miaojuan Ren ; ^{ss_renmj@163.com} ; Changwen Zhang ; Ping Li ; Zedong Song ; Xiaojing Liu
• 关键词：Semiconductors ; Magnetic materials ; CdS ; First principles
• 刊名：Journal of Magnetism and Magnetic Materials
• 出版年：2012
• 出版时间：July, 2012
• 年：2012
• 卷：324
• 期：13
• 页码：2039-2042
• 全文大小：894 K

文摘

The electronic structures and magnetic properties of Pd-doped CdS have been studied by a first principles study. We find that the material becomes 100 % spin-polarized when Pd substitutes for Cd atom in a 3¡Á3¡Á2 CdS supercell, and forms a diluted magnetic semiconductor (DMS). A long-range ferromagnetic (FM) coupling is obtained between two Pd dopants. We concluded that the hybridized Pd(4d)-S(3p)-Cd(4d)-S(3p)-Pd(4d) chain through p-d coupling is responsible for the long-range FM coupling.