School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074, People's Republic of China.
Nanotechnology. 2017 Oct 27;28(43):435202. doi: 10.1088/1361-6528/aa87ff. Epub 2017 Aug 23.
By performing first principles calculations within the combined approach of density functional theory and nonequilibrium Green's function technique, we have designed some nanoelectronic devices to explore the ferroelastic switching of phosphorene and phosphorene analogs GeS. With the structure swapping along the zigzag direction and armchair direction, band gap transformed at different states due to their anisotropic phosphorene-like structure. From the initial state to the middle state, the band gap becomes progressively smaller, after that, it becomes wide. By analyzing transmission coefficients, it is found that the transport properties of phosphorene and GeS can be controlled by a uniaxial strain. The results also manifest that GeS has great potential to fabricate ferroic nonvolatile memory devices, because its relatively high on/off transmission coefficient ratio (∼1000) between the two stable ferroelastic states.
通过在密度泛函理论和非平衡格林函数技术相结合的方法中进行第一性原理计算，我们设计了一些纳米电子器件来探索黑磷和黑磷类似物 GeS 的铁弹性转变。通过沿锯齿方向和扶手椅方向的结构交换，由于其各向异性的黑磷类似结构，在不同状态下能带隙发生转变。从初始状态到中间状态，能带隙逐渐变小，之后变宽。通过分析透射系数，发现通过单轴应变可以控制黑磷和 GeS 的输运性质。结果还表明，由于其在两个稳定铁弹性状态之间具有较高的开/关透射系数比（约 1000），GeS 具有很大的潜力来制造铁电非易失性存储器件。
