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Strain-induced gap modification in black phosphorus

Rodin, A S ; Carvalho, A ; Castro Neto, A H

Physical review letters, 2014-05, Vol.112 (17), p.176801-176801, Article 176801 [Periódico revisado por pares]

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Título:
Strain-induced gap modification in black phosphorus
Autor: Rodin, A S ; Carvalho, A ; Castro Neto, A H
Assuntos: Band structure of solids ; Bands ; Composition effects ; Crystal structure ; Density functional theory ; Mathematical models ; Phosphorus ; Strain
É parte de: Physical review letters, 2014-05, Vol.112 (17), p.176801-176801, Article 176801
Notas: ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
Descrição: The band structure of single-layer black phosphorus and the effect of strain are predicted using density functional theory and tight-binding models. Having determined the localized orbital composition of the individual bands from first principles, we use the system symmetry to write down the effective low-energy Hamiltonian at the Γ point. From numerical calculations and arguments based on the crystal structure of the material, we show that the deformation in the direction normal to the plane can be used to change the gap size and induce a semiconductor-metal transition.
Editor: United States
Idioma: Inglês

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