Grain boundaries in CuInSe2

Datum: 15 maart 2017

Locatie: UAntwerp, Campus Groenenborger, Building U, Room 241 - Groenenborgerlaan 171 - 2610 Antwerpen (route: UAntwerpen, Campus Groenenborger)

Tijdstip: 16 - 17 uur

Organisatie / co-organisatie: Condensed Matter Theory

Korte beschrijving: Condensed matter theory seminar presented by Dr Rolando Saniz

Polycrystalline materials are widely used in the semiconductor industry (thin film transistors, solar cells, display screens, etc). First-principles methods are very helpful for the understanding many of the properties such materials, as they describe the properties of the crystallites that these materials are made of quite reliably. However, the interfaces, or grain boundaries, between crystallites are known to play a critical role in many instances.

The study of the effects of grain boundaries on the properties of materials represents a more formidable task from the computational point of view. Here I will describe how we can try to tackle this problem using first-principles tools, using CuInSe2 as an example.

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