Zhao Yin-Chang, Ni Jun
State Key Laboratory of Low-Dimensional Quantum Physics and Collaborative Innovation Center of Quantum Matter, Department of Physics, Tsinghua University, Beijing 100084, P.R. China.
Phys Chem Chem Phys. 2014 Aug 7;16(29):15477-82. doi: 10.1039/c4cp01549e. Epub 2014 Jun 20.
We have investigated the relative stabilities and electronic properties of silicene nanoribbons with sawtooth edges (SSiNRs) by first-principles calculations. The SSiNR is more stable than the zigzag silicene nanoribbon (ZSiNR) and has a ferromagnetic ground state with an intrinsic energy gap between majority and minority spin-polarized bands, which shows that SSiNR is a spin-semiconductor. Under an external transverse electric field, the energy gap decreases and even vanishes. Meanwhile, the charge densities of the two edge bands near the Fermi level become spatially separated at different edges. We find also that the electric field-induced features can be achieved by a suitable uniaxial compressive strain. This can be understood from the effect of the Wilson transition. At last, the electronic structures of SSiNRs tuned by electric field and strain together are studied, showing that a small tensile strain makes the SSiNRs more sensitive to the electric field. These results suggest that the electric field or/and strain modulated SSiNRs have potential applications in silicon-based spintronic nanodevices.
我们通过第一性原理计算研究了具有锯齿边缘的硅烯纳米带(SSiNRs)的相对稳定性和电子性质。SSiNR比锯齿形硅烯纳米带(ZSiNR)更稳定,并且具有铁磁基态,在多数和少数自旋极化带之间存在固有能隙,这表明SSiNR是一种自旋半导体。在外部横向电场作用下,能隙减小甚至消失。同时,费米能级附近的两个边缘带的电荷密度在不同边缘处发生空间分离。我们还发现,电场诱导的特征可以通过适当的单轴压缩应变来实现。这可以从威尔逊跃迁的效应来理解。最后,研究了电场和应变共同调制下的SSiNRs的电子结构,结果表明小的拉伸应变使SSiNRs对电场更敏感。这些结果表明,电场或/和应变调制的SSiNRs在硅基自旋电子纳米器件中具有潜在应用。