Elektronová struktura slitin india a cínu
| Title in English | Electronic structure of indium-tin alloys |
|---|---|
| Authors | |
| Year of publication | 2007 |
| Type | Article in Proceedings |
| Conference | Sborník doktorské konference: Víceúrovňový design pokrokových materiálů |
| MU Faculty or unit | |
| Citation | |
| Field | Physical chemistry and theoretical chemistry |
| Keywords | Electronic structure; tin; indium; gamma-tin; virtual crystal approximation |
| Description | The InSn system is interesting by the existence of a simple hexagonal phase 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. In this contribution, energetics and electronic structure of InSn system is studied from first principles. A simplified version of virtual crystal approximation is employed to describe disorder. It turns out that the present approach is capable of describing phase composition of InSn system in the whole concentration interval. In particular, we are able to reproduce the existence of simple hexagonal phase around 80 at% Sn. |
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