arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 1105.2777cond-mat.mtrl-scicond-mat.other
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室温p感生表面铁磁性

Room temperature p-induced surface ferromagnetism

Guntram Fischer, Nadiezhda Sanchez, Waheed A. Adeagbo, Martin Lüders, Zdzislawa Szotek, Walter M. Temmerman, Arthur Ernst, Wolfram Hergert, M. Carmen Muñoz

摘要:

我们证明了一个自发磁化的氧终止ZnO(0001)表面利用多代码,SIESTA和KKR,第一性原理方法,涉及LSDA+U和自相互作用修正(SIC)来处理电子相关效应。临界温度估计从蒙特卡罗模拟,表明在300 K及以上的表面是磁稳定和铁磁性。所观察到的半金属性和长程磁序起源于氧化物的价带中的p-空穴的存在。该机制在离子氧化物中具有普遍性,为铁磁低维体系的设计提供了一条新的途径。

英文摘要:

We prove a spontaneous magnetization of the oxygen-terminated ZnO (0001) surface by utilizing a multi-code, SIESTA and KKR, first-principles approach, involving both LSDA+U and selfinteraction corrections (SIC) to treat electron correlation effects. Critical temperatures are estimated from Monte Carlo simulations, showing that at and above 300 K the surface is thermodynamically stable and ferromagnetic. The observed half-metallicity and long-range magnetic order originate from the presence of p-holes in the valence band of the oxide. The mechanism is universal in ionic oxides and points to a new route for the design of ferromagnetic low dimensional systems.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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