A Theoretical Exploration of the Metal Insulator Transition in Vanadium Dioxide with an Eye Towards Applications: A First Principles Approach

TL;DRAbstract

Abstract : Vanadium oxides are very interesting compounds which exhibit exotic transport phenomena. In particular vanadium dioxide (VO2) undergoes a first-order transition from a high-temperature metallic phase to a low-temperature insulating phase at almost the room temperature (T = 340 K). The resistivity jumps by several orders of magnitude through this transition, and the crystal structure changes from rutile (R-phase) at high-temperature to monoclinic (so-called M1-phase) at low-temperature. The latter is characterized by a dimerization of the vanadium atoms into pairs, as well as a tilting of these pairs with respect to the c-axis. VO2 has also attracted a great deal of attention for its ultrafast optical response, switching between the R and the M1 phase. Despite the large number of experimental studies focusing on this material the physics driving this phase transition and the resulting optical properties is still mysterious. There are intensive reports around the world to make

Chat with Paper

AI Agents for this Paper