Ab-initio Study of Intrinsic Point Defects in Titanium Dioxide: A Density Functional Theory Approach

This book is for researchers and scientists who would want to have an insight of materials before fabrication. Ab-initio study of intrinsic point defects in Titanium dioxide is a Density Functional Theory approach to study properties of materials using computational method. The author addresses two phases of Titanium dioxide: rutile and anatase. It clearly shows how leakage currents may occur in otherwise wide gap compounds. This would find its application in photo-electronics and other semi-conductor devices. The author demonstrates clearly how the gap of a wide-gap of a pristine material can be reduced without doping. This book is recommended to all educators and researchers globally who have an interest in Physics and Physics-related fields.