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Author Jia, Xingtao ♦ Qin, Minghui ♦ Yang, Wei
Source arXiv.org
Content type Text
File Format PDF
Date of Submission 2009-10-13
Language English
Subject Domain (in DDC) Computer science, information & general works ♦ Natural sciences & mathematics ♦ Physics
Subject Keyword Condensed Matter - Materials Science ♦ Condensed Matter - Other Condensed Matter ♦ physics:cond-mat
Abstract We investigated the magnetism and aggregation trends in cubic Zn1-xCrxS using the density-functional theory calculations.We demonstrate that all studied configurations show ground state half-metallic ferromagnetism (HMF); and Cr impurities are energetically favorable to planar cluster into delta-doping structures. The single-layer delta-doping structures of Zn0.75Cr0.25S and Zn0.875Cr0.125S show ferromagnetic stabilization energies (\Delta E_AF) of 0.551 and 0.561 eV/Cr-Cr pair, respectively. The half-layer delta-doping structure of Zn0.875Cr0.125S and double-layer delta-doping structure of Zn0.75Cr0.25S show \Delta E_AF of 0.394 and 0.166 eV/Cr-Cr pair, respectively. Furthermore, our studies indicate that the cubic ZnS/CrS heterostructure, one extreme situation of the delta-doping structure, also shows ground state HMF. The origin of HMF is discussed using a simple crystal field model. Finally, we anticipate the potential spintronics application of Zn1-xCrxS.
Educational Use Research
Learning Resource Type Article
Page Count 13


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