Zou Fei, Zhu Lin, Gao Gaoying, Wu Menghao, Yao Kailun
School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074, China.
Phys Chem Chem Phys. 2016 Feb 17;18(8):6053-8. doi: 10.1039/c5cp05001d.
The thermal transport properties of an iron-doped molybdenum disulfide system were explored theoretically using the density functional theory calculations combined with the Keldysh non-equilibrium Green's function approach. The results indicate that a perfect spin filtering effect and spin Seebeck effect are induced thermally. Excellently, there exists thermal colossal magnetoresistances, which exhibit a transition between positive and negative that can be tuned using temperature. These features were elucidated using the band structures of the electrodes and the transmission function together with current spectra. Our findings may be helpful in the design of highly efficient spin caloritronic devices.
采用密度泛函理论计算结合凯尔迪什非平衡格林函数方法,对铁掺杂二硫化钼体系的热输运性质进行了理论研究。结果表明,该体系热诱导产生了完美的自旋过滤效应和自旋塞贝克效应。此外,还存在热巨磁电阻效应,其正负转变可通过温度调节。利用电极的能带结构、传输函数以及电流谱对这些特性进行了阐释。我们的研究结果可能有助于高效自旋热电器件的设计。