基于石墨烯电极的Co-Salophene分子器件的自旋输运

发布时间：2018-06-21 23:32

本文选题：自旋输运 + 分子器件　；参考：《物理学报》2017年19期

【摘要】：采用基于非平衡格林函数结合第一性原理的密度泛函理论的计算方法,研究了基于锯齿型石墨纳米带电极的Co-Salophene分子器件的自旋极化输运性质.计算结果表明,当左右电极为平行自旋结构时,自旋向上的电流明显大于自旋向下的电流,自旋向下的电流在[-1V,1V]偏压下接近零,分子器件表现出优异的自旋过滤效应.与此同时,在自旋向上电流中发现负微分电阻效应.当左右电极为反平行自旋结构时,器件表现出双自旋过滤和双自旋分子整流效应.除此之外,整个分子器件还表现出较高的巨磁阻效应.通过分析器件的自旋极化透射谱、局域态密度、电极的能带结构和分子自洽投影哈密顿量,详细解释该分子器件表现出众多特性的内在机理.研究结果对设计多功能分子器件具有重要的借鉴意义.
[Abstract]:The spin polarization transport properties of Co-Salophene molecular devices based on zigzag graphite nanocrystalline electrodes are studied by using the density functional theory based on non-equilibrium Green function and first-principles. The calculation results show that the spin upward current is obviously larger than the spin downward current when the left and right electrode is parallel spin structure, and the spin downward current is close to zero at [-1V] bias voltage. The molecular devices exhibit excellent spin filtering effect. At the same time, the negative differential resistance effect is found in the spin upward current. When the electrode is an antiparallel spin structure, the device exhibits double spin filter and double spin molecular rectifier effect. In addition, the molecular devices also exhibit a high GMR effect. By analyzing the spin polarization transmission spectrum, the local density of states, the energy band structure of the electrode and the molecular self-consistent projection Hamiltonian, the intrinsic mechanism of the molecular device is explained in detail. The results can be used for reference in the design of multifunctional molecular devices.
【作者单位】：南京邮电大学材料科学与工程学院;南京邮电大学理学院信息物理研究中心;南京师范大学物理科学与技术学院;盐城工学院数理学院;江南大学理学院;
【基金】：教育部“长江学者和创新团队发展计划”创新团队(批准号:IRT1148) 国家自然科学基金(批准号:51372119,11404278) 江苏省高校优秀中青年教师和校长赴境外研修计划南京邮电大学科研基金(批准号:NY214130,NY214104)资助的课题~~
【分类号】：O469

【相似文献】