Electronic Structure of Materials
Computer Simulations

General statements

The properties of different materials are revealed through their responses to external agents. These properties depend on a great amount of the materials atomic compositions, growing conditions etc. Experimental advances have allowed to build low dimensional structures, whose properties are diverse from those of their bulk counterparts. The possibilities opened by this very fine tailoring of materials, enable the researcher to search for materials with specific properties for many different applications.

Computer simulation allows to perform virtual experiments, where some conditions inaccessible to the experimentalists can be pursued. Further, the properties of new materials can be easily studied, allowing cheap prospections of their features and feasibility.

BORON NITRIDE COMPOUNDS