Ab initio modelling of solar cell materials

The course is focused on studying the properties of solar cell materials using computational methods based on density functional theory. The fundamentals of band structure methods along with the topics treated include structural phase stability, bonding, and physical properties (electrical, optical properties) of materials using state of the art ab-initio calculations. Focus is given to the relationship between multifunctional properties with electronic structure in the atomic and nanoscale.

Electronic structure: Basic Theory and Practical Methods, Richard M. Martin, Cambridge University Press (2004). See http://www.electronicstructure.org/book.asp (only selected topics in part I-III). Study materials/lecture notes will be provided.