Informace o publikaci
Energetics and crystal structures of In-Sn alloys from first principles
| Autoři | |
|---|---|
| Rok publikování | 2008 |
| Druh | Článek ve sborníku |
| Konference | A mid-time Conference of the COST Action P19: Multiscale modeling of materials |
| Fakulta / Pracoviště MU | |
| Citace | |
| Obor | Fyzikální chemie a teoretická chemie |
| Klíčová slova | gamma-tin In-Sn alloys |
| Popis | The InSn system contains a phase with simple hexagonal structure for compositions from 72 to 87 at% Sn at 25 st.C and from 73 to 85 at% Sn at -150 st.C. These alloys are usually referred to as gamma-Sn. The InSn alloys are disordered in the whole concentration interval. A simplified version of virtual crystal approximation is employed to describe disorder. The energetics and electronic structure of InSn system was studied from first principles. It turns out that the present approach is capable of describing phase composition of InSn system in the whole concentration interval. |