Physica Scripta ( IF 2.9 ) Pub Date : 2021-06-08 , DOI: 10.1088/1402-4896/ac0375 Hamid Ullah 1 , M Waqas Iqbal 1 , Asad Ali 2 , N A Noor 1 , Young-Han Shin 2 , Muhammad Junaid Iqbal Khan 3 , H I El Saeedy 4
Monolayer tin sulphide (SnS) is an extraordinary two-dimensional material with semiconductor nature. We have explored the doping effects of Gallium (Ga) and Arsenic (As) atoms on the electronic and magnetic properties of monolayer SnS using first-principles calculations. We find that the doped system are energetically stable due to high binding energies. Both the dopants retain the semiconductor nature of monolayer SnS with a tuneable band gap. Interestingly, spin-polarization with magnetic moment of 1.00 μ B has been induced in both Ga- and As-doped monolayer SnS. Moreover, the realization of magnetic anisotropy energy (MAE) could pave a way to utilize Ga- and As-doped monolayer SnS for applications in magnetic semiconductor devices.
中文翻译:
镓和砷取代对单层SnS电子和磁性能的影响
单层硫化锡 (SnS) 是一种具有半导体性质的非凡二维材料。我们已经使用第一性原理计算探索了镓 (Ga) 和砷 (As) 原子对单层 SnS 的电子和磁性能的掺杂影响。我们发现由于高结合能,掺杂系统在能量上是稳定的。两种掺杂剂都保留了单层 SnS 的半导体性质,带隙可调。有趣的是,在 Ga 和 As 掺杂的单层 SnS 中都诱导了具有1.00 μ B磁矩的自旋极化。此外,磁各向异性能量 (MAE) 的实现可以为利用 Ga 和 As 掺杂的单层 SnS 在磁性半导体器件中的应用铺平道路。