Structural, electronic and optical properties of GeX (X = N, P and As) monolayer: under stress and strain conditions

• Published in: Optical and quantum electronics Vol. 53; no. 9
• Main Authors: Niasadegh, Noureddin, Naseri, Mosayeb, Rezaee, Sahar
• Format: Journal Article
• Language: English
• Published: New York Springer US 01.09.2021; Springer Nature B.V
• Subjects: Blue shift; Characterization and Evaluation of Materials; Compressive properties; Computer Communication Networks; Conduction bands; Density functional theory; Doppler effect; Electrical Engineering; Energy gap; First principles; Lasers; Monolayers; Optical Devices; Optical properties; Optics; Optoelectronics; Photonics; Physics; Physics and Astronomy; Red shift; Tensile strain; Band structure; First principles calculation; Electronic properties; Stress and strain effects; Optical properties; GeX monolayers; Band gap
• ISSN: 0306-8919; 1572-817X
• DOI: 10.1007/s11082-021-03134-0

Applying first-principles of Density Functional Theory, the current study aims to discover optical, structural and electronic features of two-dimensional (2D) hexagonal structure of IV–V binary monolayer compounds, GeX (X = N, P and As) under the conditions of stress and strain. The findings revealed that applying stress and strain conditions may make an adjustable energy gap which has a linear tendency. The valance band maximum and conduction band minimum graph is susceptible to exert strain and stress. Furthermore, a blue shift appears in the optical spectra of monolayer structures under compressive strain conditions, although a red shift is observed in the optical spectra of materials as a result of applying tensile strain. The findings show that the GeX monolayers are possibly promising applicants to be used in new optoelectronic applications.