Abstract
The strongly anisotropic properties of phosphorene makes it an attractive material for applications in deciding the specific direction for different purposes. Here we have particularly reported the competition between strain and electric field stimuli in evaluating the band gap and electron energy loss spectrum (EELS) of single-layer black phosphorus using the tight-binding method and the Kubo conductivity. We construct possible configurations for this competition and evaluate the interband optical excitations considering the corresponding band gap variations. The band gap increases with the individual electric field, while it increases (decreases) with tensile (compressive) uniaxial in-plane strain. Contrary to the in-plane strains, the uniaxial out-of-plane strain shows a critical strain at which the system suffers from a phase transition. Furthermore, the presence of these stimuli simultaneously results in an extraordinary band gap engineering. Based on the EELS response in the electromagnetic spectrum, the armchair (zigzag) direction is classified into the infrared and visible (ultraviolet) region. We report that the electric field gives rise to the blue shift in the interband optical transitions along the armchair direction, while the compressive/tensile (tensile/compressive) in-plane/out-of-plane strain provides a red (blue) shift. Moreover, we observe an inverse behavior of EELS response to the individual and combined effects of electric field and strains compared to the band gap behavior except at critical out-of-plane strain for which the physical theory of interband excitation is simply violated. Our results provide a new perspective on the applicability of phosphorene in stimulated optical applications.
Highlights
After the isolation of single-layer g raphene[1,2,3,4], different kinds of two-dimensional (2D) materials with distinct functionality were discovered and, in turn, many pieces of research on the few-layer form of known bulk materials have started to develop[5,6,7,8,9]
Here we have showed unambiguously that the individual electric field leads to the band gap increasing, whereas the uniaxial compressive in-plane strain displays a decreasing trend for the band gap
The results showed that the energy loss spectrum (EELS) of monolayer black phosphorus (BP) for both in-plane and out-of-plane strains may show broad [both low and high intra- and inter-band] excitonic and plasmonic structure which may be attributed to the collective excitations of both σ and π electrons, while the electric field is only attributed to the low-energy interband ones
Summary
After the isolation of single-layer g raphene[1,2,3,4], different kinds of two-dimensional (2D) materials with distinct functionality were discovered and, in turn, many pieces of research on the few-layer form of known bulk materials have started to develop[5,6,7,8,9]. 2 and 3 with strain and gate voltage based on the low-energy band structure in strained and gated single-layer BP, as well as, after excellently reproducing low-energy interband excitations, we turn to the corresponding specific features of the perturbed EELS in phosphorene when the optical energy ω intends to alter the basic perturbed electro-optical properties.
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
