Electro-optical properties of strained monolayer boron phosphide

Abstract

In this paper, we use tight-binding approximation and linear response theory to study the electronic and optical properties of strained monolayer boron-phosphide (h-BP). Compared with the previous DFT study and adding on-site energy variation to the Hamiltonian, we propose a theoretical approach to investigate the strain effects on the electronic and optical properties of the h-BP. Applying tensile strain increases the gap while compressive strain reduces it as the maximum and minimum of the gap are 1.45 eV and 1.14 eV respectively and are related to the biaxial strain. Also, we investigate the optical conductivity and electron energy loss spectrum (EELS) of the pristine and strained h-BP. The absorption peak of the Resigma_{xx,yy} appears in energy about 4 eV but applying strain shifts the peak’s energy. Optical properties of pristine h-BP are isotopic and biaxial strain preserves this isotropy, but uniaxial strain exerts anisotropic behavior in the system.