磁性
反铁磁性
磁性半导体
材料科学
凝聚态物理
Atom(片上系统)
半导体
自旋(空气动力学)
联轴节(管道)
兴奋剂
密度泛函理论
物理
结晶学
化学
量子力学
光电子学
热力学
嵌入式系统
冶金
计算机科学
作者
Xiangyuan Cui,Julia E. Medvedeva,B. Delley,Arthur J Freeman,Nathan Newman,Catherine Stampfl
标识
DOI:10.1103/physrevlett.95.256404
摘要
Results of extensive density-functional studies provide direct evidence that Cr atoms in $\mathrm{Cr}\ensuremath{\mathbin:}\mathrm{GaN}$ have a strong tendency to form embedded clusters, occupying Ga sites. Significantly, for larger than 2-Cr-atom clusters, states containing antiferromagnetic coupling with net spin in the range $0.06--1.47\text{ }\text{ }{\ensuremath{\mu}}_{B}/\mathrm{Cr}$ are favored. We propose a picture where various configurations coexist and the statistical distribution and associated magnetism will depend sensitively on the growth details. Such a view may elucidate many puzzling observations related to the structural and magnetic properties of III-N and other dilute semiconductors.
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