Theoretical studies on electronic, magnetic and optical properties of two dimensional transition metal trihalides
Krishnanshu Basak, Mainak Ghosh, Suman Chowdhury, Debnarayan Jana
Abstract
Two dimensional transition metal trihalides have drawn attention over the years due to their intrinsic ferromagnetism and associated large anisotropy at nanoscale. The interactions involved in these layered structures are of van der Waals types which are important for exfoliation to different thin samples. This enables one to compare the journey of physical properties from bulk structures to monolayer counterpart. In this topical review, the modulation of electronic, magnetic and optical properties by strain engineering, alloying, doping, defect engineering etc have been discussed extensively. The results obtained by first principle density functional theory calculations are verified by recent experimental observations. The relevant experimental synthesis of different morphological transition metal trihalides are highlighted. The feasibility of such routes may indicate other possible heterostructures. Apart from spintronics based applications, transition metal trihalides are potential candidates in sensing and data storage. Moreover, high thermoelectric figure of merit of chromium trihalides at higher temperatures leads to the possibility of multi-purpose applications. We hope this review will give important directions to further research in transition metal trihalide systems having tunable band gap with reduced dimensionalities.