20-22 May 2015
Asia/Bangkok timezone
The Centennial Celebration of General Relativity Theory and 80 Years of Thai Physics Graduate

High pressure properties of I-III-VI$_2$ compounds from ab initio calculation

21 May 2015, 08:00
3h
Board: CON-11
Poster presentation Condensed Matter Physics Poster-2

Speaker

Mrs Sukanya Petchsirivej (Division of Physical Science, Faculty of Science and Technology, Huachiew Chalermprakiet University, Samutprakarn 10540, Thailand)

Description

Ab initio calculation based on density functional theory were performed for studying high-pressure phases and electronic properties of I-III-VI$_2$ compounds. Thermodynamic properties of a solid system were calculated by using LDA and PBE functionals. Stability of high pressure structures of I-III-VI$_2$ compounds were determined by comparing the lowest enthalpies. The high-pressure properties such as lattice parameter, electron density and elastic constant were investigated up to 200 GPa. Stability of high pressure structures were observed by studying the phonon dispersion relation.

Primary author

Mrs Sukanya Petchsirivej (Division of Physical Science, Faculty of Science and Technology, Huachiew Chalermprakiet University, Samutprakarn 10540, Thailand)

Co-authors

Prayoonsak Pluengphon (Division of Physical Science, Faculty of Science and Technology, Huachiew Chalermprakiet University, Samutprakarn 10540, Thailand) Thiti Bovornratanaraks (Extreme Conditions Physics Research Laboratory, Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand)

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