Energetics and crystal structures of In-Sn alloys from first principles

VŠIANSKÁ, Monika; Mojmír ŠOB a Dominik LEGUT. Energetics and crystal structures of In-Sn alloys from first principles. In A mid-time Conference of the COST Action P19: Multiscale modeling of materials. Brno: Institute of Physics of Materials, Academy of Sciences of the Czech Republic, 2008, s. 40. ISBN 978-80-254-2282-3.

Základní údaje

Originální název

Energetics and crystal structures of In-Sn alloys from first principles

Autoři

VŠIANSKÁ, Monika; Mojmír ŠOB a Dominik LEGUT

Vydání

Brno, A mid-time Conference of the COST Action P19: Multiscale modeling of materials, s. 40-40, 2008

Nakladatel

Institute of Physics of Materials, Academy of Sciences of the Czech Republic

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Další údaje

Jazyk

angličtina

Typ výsledku

Stať ve sborníku

Obor

10403 Physical chemistry

Stát vydavatele

Česká republika

Utajení

není předmětem státního či obchodního tajemství

Označené pro přenos do RIV

Ne

Organizační jednotka

Přírodovědecká fakulta

ISBN

978-80-254-2282-3

Klíčová slova anglicky

gamma-tin In-Sn alloys

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Anotace

V originále

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.