Charge transfer, confinement, and ferromagnetism in LaMnO3/LaNiO3 (001) superlattices
Charge transfer, confinement, and ferromagnetism in LaMnO3/LaNiO3 (001) superlattices
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DOI：
10.1103/physrevb.88.035126
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发表时间：
2013-07-22
影响因子：
3.7
通讯作者：
Han, Myung Joon
中科院分区：
文献类型：
--
作者：
Lee, Alex Taekyung;Han, Myung Joon
采用第一性原理密度泛函理论计算了（LaMnO 3）（m）/（LaNiO 3）（n）超晶格的电子结构和磁性.电子从Mn转移到Ni，并且在块体和其他类型的超晶格中顺磁性的Ni位点处诱导磁矩。感应力矩的大小与转移的电子量成线性比例，但它大于净电荷转移。（m，n）超晶格的电荷转移和磁性可以通过改变m/n比来控制。考虑到Mn和Ni自旋之间的铁磁耦合和电荷转移特性，我们提出（2，1）超晶格作为最大磁矩超晶格。每个配方单位携带类似于8 μ（B）的B。
Using first-principles density functional theory calculations, we investigated the electronic structure and magnetic properties of (LaMnO3)(m)/(LaNiO3)(n) superlattices stacked along the (001) direction. The electrons are transferred from Mn to Ni, and the magnetic moments are induced at Ni sites that are paramagnetic in bulk and other types of superlattices. The size of the induced moment is linearly proportional to the amount of transferred electrons, but it is larger than the net charge transfer. The charge transfer and magnetic properties of the (m,n) superlattice can be controlled by changing the m/n ratio. Considering the ferromagnetic couplings between Mn and Ni spins and the charge-transfer characteristic, we propose the (2,1) superlattice as the largest moment superlattice. carrying similar to 8 mu(B) per formula unit.