Antiferromagnetic Order at The First Fe4N Atomic Layer in Benzene Adsorbed Fe4N Structures
Antiferromagnetic Order at The First Fe4N Atomic Layer in Benzene Adsorbed Fe4N Structures
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苯吸附 Fe4N 结构中第一 Fe4N 原子层的反铁磁序
DOI：
10.1021/acs.jpcc.5b08415
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发表时间：
2015-10
影响因子：
3.7
通讯作者：
Wang, Xiaocha
中科院分区：
文献类型：
--
作者：
Zhang, Qian;Mi, Wenbo;Wang, Xiaocha
用第一性原理计算了苯与Fe 4 N界面的自旋极化相关性质。由于Fe 4 N的原子层的微妙之处是这项工作的重点。首先，由于苯的吸附，Fe 4 N表面显著变形。当Fe_4 N为5层和7层时，在苯与底层原子层的张力竞争下，底层Fe原子向中心移动。其次，由于p-d齐纳交换相互作用而导致的自旋极化反转出现在宽范围内。第三，在具有五个和七个原子层的Fe_4 N表面的第一原子层处发现反铁磁对准，并且可以如此显著地影响衬底的磁性是罕见的。这一发现表明，在分析有机隧穿结的磁性时，应考虑原子尺度区域内铁磁和反铁磁取向之间的转换，特别是当Fe_4N为电极时。
The spin-polarization related properties of interface between benzene and Fe4N is calculated by first-principle theory. The subtleties due to the atomic layers of Fe4N are focal points in this work. First, the Fe4N surface is distorted significantly due to benzene adsorption. Fe atoms beneath benzene move toward the center, under the strain’s competition between benzene and the bottom atomic layer, when Fe4N has five and seven atomic layers. Second, the spin-polarization inversion due to the p–d Zener exchange interaction appears in a wide zone. Third, antiferromagnetic alignment is discovered at the first atomic layer of Fe4N surface with five and seven atomic layers, and it is rare that magnetic properties of the substrate can be influenced so significantly. This discovery suggests that the switch between the ferromagnetic and antiferromagnetic alignment in the atomic-scale zone, especially when the Fe4N is the electrode, should be considered in the analysis on magnetic properties of organic tunneling j...
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影响因子：
3.7
作者：
Atodiresei, Nicolae;Caciuc, Vasile;Bluegel, Stefan
通讯作者：
Bluegel, Stefan
影响因子：
3.7
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影响因子：
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影响因子：
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影响因子：
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作者：
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通讯作者：
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