Theoretical studies on electronic, magnetic and optical properties of two dimensional transition metal trihalides

Abstract

Two dimensional (2D) metallic trihalides have drawn attention over the years due to their in-
trinsic ferromagnetism and associated large anisotropy at nanoscale. The interaction involved in
these layered structure are of van der Waals (vdW) 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 (DFT) cal-
culations are verified by recent experimental observations. The relevant experimental synthesis of
different morphological metallic trihalides are highlighted. The feasibility of such routes may indi-
cate other possible heterostructures. Apart from spintronics based applications, metallic 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 metallic trihalide systems
having tunable band gap with reduced dimensionalities.

C3N based heterobilayers: a potential platform to explore optoelectronic and thermoelectric properties

“…This is also considered to be a very promising approach to tackle the bandgap hurdle of mighty graphene meanwhile preserving its excellent electronic properties. Since the arrival of graphene in 2004, an immense amount of attention has been given, from pushing its limitations as zero bandgap material to finding different stackings or morphological substitutes [5][6][7][8][9][10][11] which gave rise to a wider range of possibilities in fields like photocatalytic [12,13] activities, magnetic [14,15] applications or waste-heat management [16][17][18][19]. In recent years, many carbon-based 2D semiconductors have turned out to be quite of use due to their diverse optical, electronic, and thermal properties [20][21][22].…”