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arXiv 0812.2098cond-mat.str-elcond-mat.mtrl-sci
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是什么驱动了SrRuO3薄膜的绝缘状态?

What drives the insulating state in ultrathin films of SrRuO3?

Priya Mahadevan, F. Aryasetiawan, A. Janotti, T. Sasaki

摘要:

使用密度泛函计算,我们已经研究了SrRuO 3薄膜生长在SrTiO 3衬底上的电子结构的演变作为膜厚度的函数。在两个单层(RuO 2-终止表面)的膜被发现是在边缘的自旋状态的转变,驱动系统的反铁磁和绝缘状态。将膜厚度增加到四个单层,人们发现两种完全不同的溶液共存的令人惊讶的结果。反铁磁绝缘溶液与对应于反铁磁表面和铁磁体的金属溶液共存。电子结构发现在100极限持续较厚的薄膜和一个不寻常的结果进行预测。较厚的薄膜被发现是金属预期的散装,但磁性不直接演变为散装铁磁状态。表面仍然是反铁磁的,而大部分表现出铁磁有序。

英文摘要:

Using density functional calculations we have examined the evolution of the electronic structure of SrRuO3 films grown on SrTiO3 substrates as a function of film thickness. At the ultrathin limit of two monolayers (RuO2-terminated surface) the films are found to be at the brink of a spin-state transition which drives the system to an antiferromagnetic and insulating state. Increasing the film thickness to four monolayers, one finds the surprising result that two entirely different solutions coexist. An antiferromagnetic insulating solution coexists with a metallic solution corresponding to an antiferromagnetic surface and a ferromagnetic bulk. The electronic structure found at the ultrathin limit persists for thicker films and an unusual result is predicted. Thicker films are found to be metallic as expected for the bulk, but the magnetism does not directly evolve to the bulk ferromagnetic state. The surface remains antiferromagnetic while the bulk exhibits ferromagnetic ordering.

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