过渡金属掺杂的扶手椅型氮化硼纳米带的磁电子学特性及力-磁耦合效应

发布时间：2018-06-19 01:33

本文选题：氮化硼纳米带 + 过渡金属修饰　；参考：《物理学报》2017年23期

【摘要】：基于密度泛函理论的第一性原理计算方法,研究了多种过渡金属(TM)掺杂扶手椅型氮化硼纳米带(ABNNR-TM)的结构特点、磁电子特性及力-磁耦合效应.计算的结合能及分子动力学模拟表明ABNNRTM的几何结构是较稳定的,同时发现对于不同的TM掺杂,ABNNRs能表现出丰富的磁电子学特性,可以是双极化磁性半导体、一般磁性半导体、无磁半导体或无磁金属.双极化磁性半导体是一种重要的稀磁半导体材料,它在巨磁阻器件和自旋整流器件上有重要的应用.此外,力-磁偶合效应研究表明:ABNNR-TM的磁电子学特性对应力作用十分敏感,能实现无磁金属、无磁半导体、磁金属、磁半导体、双极化磁性半导体、半金属等之间的相变.特别是呈现的宽带隙半金属对于发展自旋电子器件有重要意义.这些结果表明:可以通过力学方法来调控ABNNR-TM的磁电子学特性.
[Abstract]:Based on the first-principle calculation method of density functional theory (DFT), the structure characteristics, magnetoelectronic properties and mechanical-magnetic coupling effects of various transition metal (TMTM) doped armchair type boron nitride nanobelts (ABNNR-TMN) have been studied. The calculated binding energy and molecular dynamics simulation show that the geometric structure of ABNRTM is relatively stable. It is also found that ABNNRs exhibit rich magnetoelectronic properties for different TM doped BNNRs, which can be double polarized magnetic semiconductors and general magnetic semiconductors. Non-magnetic semiconductors or non-magnetic metals. Double polarization magnetic semiconductor is an important dilute magnetic semiconductor material, which has important applications in giant magnetoresistive devices and spin rectifiers. In addition, the force-magnetic coupling effect studies show that the magnetoelectronic properties of: ABNNR-TM are very sensitive to the stress action, and can realize the phase transitions between non-magnetic metals, non-magnetic semiconductors, magnetic metals, magnetic semiconductors, double-polarized magnetic semiconductors and semi-metals. In particular, the wide band gap semimetallic is of great significance for the development of spin electronic devices. These results indicate that the magnetoelectronic properties of ABNNR-TM can be regulated by mechanical methods.
【作者单位】：长沙理工大学物理与电子科学学院;
【基金】：国家自然科学基金(批准号:61771076,61371065,11674039) 湖南省自然科学基金(批准号:14JJ2076,2015JJ3002,2015JJ2009,2015JJ2013)资助的课题~~
【分类号】：O469;TB383.1

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