SiC单层内Co空间选位对自旋组态的调控  

Spin configuration-dependent regulation induced by Co position-selected doping in SiC monolayer

作　　者：陈莉平 炎正馨[1] 王朝棋 王乙先 CHEN Li-Ping;YAN Zheng-Xin;WANG Zhao-Qi;WANG Yi-Xian(College of Science,Xi’an University of Science and Technology,Xi’an 710054,China)

机构地区：[1]西安科技大学理学院,西安710054

出　　处：《原子与分子物理学报》2022年第6期41-49,共9页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金(11904282)。

摘　　要：基于第一性原理的密度泛函理论,对SiC单层不同位置掺杂Co进行了能带结构、电子态密度、净自旋密度和自旋纹理等计算,结果表明不同位置的掺杂引起不同特征的自旋积累及单层的电子结构特性.由于Co的不同选位掺杂而产生一些新奇现象,如扭曲的Co-C键在掺杂SiC内激发了自旋流而诱导了自旋重新分布,不同选位的Co原子通过调整内磁场改变了小极化子内巡游电子的定域属性,增加了Dirac点附近磁振子的色散强度等.这些研究结果为得到一个人工调控量子自旋电路和选频自旋波器件内自旋谷电子提供了理想平台.The energy band structure,electron state density,net spin density and spin texture of Co position-selected doping in SiC monolayer are calculated by density functional theory based on first principle calculations.The results showed that the doping Co atoms at different positions caused different spin accumulation and affected the electronic structure characteristics of SiC monolayer.In addition,due to the special selected spatial position of Co,there are also some novel phenomena,such as the distortions of Co-C bond excites the spin flow and induce spin redistribution.Co atoms changed the location of itinerant electrons in small-polaron by the inner magnetic field structure and increased the dispersion strength of the magnon near the Dirac points.The results provide an ideal platform for the fabrication of an artificially regulated quantum spin circuit and spin valley electrons in frequency-selective tunable spin wave devices.

关 键 词：碳化硅单层 选位掺杂 态密度 自旋纹理 

分 类 号：O482.54[一般工业技术—材料科学与工程]