Nonorthogonal [Formula: see text] tight-binding parameterization of single-layer phosphorene under biaxial strain and application to FETs.
作者： Jaehyun Lee , Jumbeom Seo , Jung Hyun Oh , Mincheol Shin
DOI: 10.1088/0957-4484/27/24/245202
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摘要: This paper presents a new set of [Formula: see text] tight-binding (TB) parameters for single-layer phosphorene within the Naval Research Laboratory (NRL) scheme. For this, we develop numerical algorithm to find NRL TB fitted ab initio results. It is shown that proposed successfully reproduce band structure phosphorene, and even under biaxial or uniaxial strain, they appropriately describe effects, such as modification anisotropic effective masses gap. Via top-of-the-barrier model, also investigate performance FETs strain with Hamiltonian results are well in accordance those previous studies.
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