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Faria Junior, Paulo E. ; Kurpas, Marcin ; Gmitra, Martin ; Fabian, Jaroslav

k.p theory for phosphorene: Effective g-factors, Landau levels, and excitons

Faria Junior, Paulo E., Kurpas, Marcin, Gmitra, Martin and Fabian, Jaroslav (2019) k.p theory for phosphorene: Effective g-factors, Landau levels, and excitons. Phys. Rev. B 100, p. 115203.

Date of publication of this fulltext: 24 Jan 2020 11:27
Article
DOI to cite this document: 10.5283/epub.41394


Abstract

Phosphorene, a single layer of black phosphorus, is a direct band gap two-dimensional semiconductor with promising charge and spin transport properties. The electronic band structure of phosphorene is strongly affected by the structural anisotropy of the underlying crystal lattice. We describe the relevant conduction and valence bands close to the Gamma-point by four-and six-band (with spin) k . ...

Phosphorene, a single layer of black phosphorus, is a direct band gap two-dimensional semiconductor with promising charge and spin transport properties. The electronic band structure of phosphorene is strongly affected by the structural anisotropy of the underlying crystal lattice. We describe the relevant conduction and valence bands close to the Gamma-point by four-and six-band (with spin) k . p models, including the previously overlooked interband spin-orbit coupling which is essential for studying anisotropic crystals. All the k . p parameters are obtained by a robust fit to ab initio data, by taking into account the nominal band structure and the k-dependence of the effective mass close to the Gamma-point. The inclusion of interband spin-orbit coupling allows us to determine dipole transitions along both armchair and zigzag directions. The interband coupling is also key to determine the effective g-factors and Zeeman splittings of the Landau levels. We predict the electron and hole g-factor correction of approximate to 0.03 due to the intrinsic contributions in phosphorene, which lies within the existing range of experimental data. Furthermore, we investigate excitonic effects using the k . p models and find exciton binding energy (0.81 eV) and exciton diameters consistent with experiments and ab initio based calculations. The proposed k . p Hamiltonians should be useful for investigating magnetic, spin, transport, and optical properties and many-body effects in phosphorene.



Involved Institutions


Details

Item typeArticle
Journal or Publication TitlePhys. Rev. B
Publisher:AMER PHYSICAL SOC
Place of Publication:COLLEGE PK
Volume:100
Page Range:p. 115203
DateSeptember 2019
InstitutionsPhysics > Institute of Theroretical Physics
Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Jaroslav Fabian
Identification Number
ValueType
10.1103/PhysRevB.100.115203DOI
KeywordsOPTICAL-SPECTRA; BAND-STRUCTURE; BLACK; SEMICONDUCTOR;
Dewey Decimal Classification500 Science > 530 Physics
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgYes
URN of the UB Regensburgurn:nbn:de:bvb:355-epub-413948
Item ID41394

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