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.
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)
