Exploring the candidacy of Mo(1−X) Ax X2 (A = [Cr, Ta], X = S) for photodetection solicitations: showcasing the DFT predictions of the structural, elastic, and optoelectronic properties

• Main Authors: Yamusa, Shehu Aminu, Shaari, Amiruddin, Alsaif, Norah A. M., Alsalamah, Ibtihal M., Lakshminarayana, G., Isah, Ibrahim, Ismail, Magaji, Razali, Razif, Rekik, Najeh
• Format: Article
• Published: Elsevier B.V. 2023
• Subjects: QC Physics
• Online Access: http://eprints.utm.my/106243/; http://dx.doi.org/10.1016/j.physb.2023.414905
• Institution: Universiti Teknologi Malaysia

Previously, most of the theoretical/computational density functional theory (DFT) simulations of transition metal dichalcogenides (TMDs) were used to gain insight into their non-doped structural, elastic, and optoelectronic properties. Although it was shown that most of the TMDs proprieties are rele...