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首页> 外文期刊>Physica Scripta: An International Journal for Experimental and Theoretical Physics >Electronic structure of bulk and multilayer black phosphorus under strain: a minimal model study
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Electronic structure of bulk and multilayer black phosphorus under strain: a minimal model study

机译：应变下散装和多层黑磷的电子结构：一种最小的模型研究

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摘要

The tight-binding method is an important theoretical tool to investigate the physics of black phosphorus. Recently, a fifteen-parameter tight-binding model was proposed to precisely describe the band features. The large number of parameters is an obstacle for understanding the physics, and a minimal model for black phosphorus that grasps the main physics with satisfied precision is quite valuable. We use a tight banding model with only three parameters, that can reproduce the correct energy gap for monolayer, few-layer and bulk black phosphorus, to study the band structure black phosphorus under strain. The energy gap can be decreased by tensile strain normal to the phosphorus layers or in-plane compressive strain. At a certain critical strain, the gap of the phosphorus (either bulk, multilayer, or monolayer) is closed, and the dispersion is linear in the armchair direction and is parabolic in the other two principle directions. The simplicity of our model allows us to analytically investigate the energy gap and the critical strain as functions of the layer number of multilayer black phosphorus. When the strain exceeds the critical value, the valence and conduction bands evolve into two tents with their ridges touching each other.
机译：紧密结合方法是研究黑磷的物理学的重要理论工具。最近，提出了一种十五个参数紧密绑定模型，精确地描述了频段特征。大量参数是理解物理学的障碍，以及以满意的精度掌握主要物理的黑色磷的最小模型是非常有价值的。我们使用只有三个参数的紧密绑带模型，可以再现单层，几层和散装黑磷的正确能隙，研究菌株的带结构黑色磷。通过阳性至磷层或面内压缩菌株的拉伸应变可以降低能量隙。在某种临界应变处，缺磷（块状，多层或单层）的间隙闭合，并且分散体在扶手椅方向上线性，并且在其他两个原理方向上是抛物线。我们的模型的简单性使我们能够分析能量隙和临界应变作为多层黑磷层数的功能。当应变超过临界值时，价和导通带子与靠近彼此的脊进入两个帐篷。

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