Optical interband transitions in strained phosphorene
| Autor: | Pham D. Khang, Tran Cong Phong, Mohsen Yarmohammadi, Le T.T. Phuong, Masoumeh Davoudiniya |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Materials science
010304 chemical physics Condensed matter physics Strain (chemistry) Band gap General Physics and Astronomy Modulus 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Optical conductivity Blueshift Phosphorene chemistry.chemical_compound chemistry Kubo formula 0103 physical sciences Physical and Theoretical Chemistry 0210 nano-technology Electronic band structure |
| Zdroj: | Physical Chemistry Chemical Physics. 21:15133-15141 |
| ISSN: | 1463-9084 1463-9076 |
| Popis: | In this paper, we have concentrated on the orbital and hybridization effects induced by applied triaxial strain on the interband optical conductivity (IOC) of phosphorene using a two-band Hamiltonian model, linear response theory and the Kubo formula. In particular, we study the dependence of the electronic band structure and of the IOC of a phosphorene single layer on the modulus and direction of the applied triaxial strain. The triaxial strain is included in a model through the introduction of strain-dependent hopping parameters using the Harrison rule. Among the various configurations for applying the triaxial strain, considerable findings are presented here in three classes: (i) uniform, (ii) in-plane uniform and (iii) non-uniform triaxial strain. The main consequence of applying triaxial strain is that of increasing and decreasing the band gap depending on the considered class of study, resulting in a blue shift and red shift of the interband optical transitions, respectively. Our results show that a pure blue shift independent of the strain modulus as well as strain sign (tensile or compressive) emerges when applying non-uniform triaxial strain. The overall feature of our outcomes is tailoring the edge-dependent optical responses of phosphorene in the presence of triaxial strain, which provides the required conditions of tuning the optical properties of phosphorene for future experimental research. |
| Databáze: | OpenAIRE |
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