Band parameters of phosphorene
نویسندگان
چکیده
منابع مشابه
Band parameters of phosphorene
Phosphorene is a two-dimensional nanomaterial with a direct band-gap at the Brillouin zone center. In this paper, we present a recently derived effective-mass theory of the band structure in the presence of strain and electric field, based upon group theory. Band parameters for this theory are computed using a first-principles theory based upon the generalized-gradient approximation to the dens...
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Among graphene-like family, phosphorene is a typical semiconducting layered material, which can also be a superconductor in low temperature. Applying pressure or tension on phosphorene lattice results in changing the hopping terms, which change the energy bands of the material. In this research we use the tight-binding Hamiltonian, including relevant hopping terms, to calculate energy bands of ...
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Based on the crystal structure prediction, we propose a new allotrope of phosphorene, ψ-phosphorene (ψ-P), with a porous structure, which is both thermally and dynamically stable in comparison with the previously reported allotropes. Due to its unique atom configuration, ψ-P has highly orientation-dependent mechanical properties and excellent flexibility. Calculations using the HSE functional p...
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Using first-principles calculations, we study the electronic properties of few-layer phosphorene focusing on layer-dependent behavior of band gap, work function band alignment and carrier effective mass. It is found that few-layer phosphorene shows a robust direct band gap character, and its band gap decreases with the number of layers following a power law. The work function decreases rapidly ...
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2015
ISSN: 1742-6588,1742-6596
DOI: 10.1088/1742-6596/633/1/012042