Density functional study of metal to half-metal transition in the rutile vanadium dioxide VO2

Sarajit Biswas

Volume 3, Issue 5 , 2018, , Pages 351-355

http://dx.doi.org/10.5185/amp.2018/407

Abstract
  First principles electronic structure calculations implemented in the density functional theory have been employed to investigate the electronic and magnetic properties of VO2 in the high temperature rutile structure with tetragonal P42/mnm symmetry. The system is a nonmagnetic metal in the absence of ...  Read More