Total energy calculations of As-Sn compounds

Dnr:

SNIC 2016/4-69

Type:

SNAC Small

Principal Investigator:

Masoomeh Ghasemi

Affiliation:

Lunds universitet

Start Date:

2016-12-01

End Date:

2017-10-01

Primary Classification:

10304: Den kondenserade materiens fysik

Webpage:

http://www.nano.lu.se/MasoomehG

Allocation

Abstract

We are currently modeling the thermodynamics of the As-Sn system which will be a part of a bigger database containing more elements. The database is supposed to be used for modeling the growth of semiconductor nanowires seeded by metallic particles. The calculated total energies will be used as inputs of the thermodynamic modeling. As a result of the current study, we will develop our required thermodynamic databases. Specifically, we will be able to model the phase equilibria of Sn-seeded InAs and GaAs nanowire. This will eventually lead to an increased understanding of the growth mechanism of such materials.