Open AccessStability of CIS (001) Surface: First-Principles Study
Author(s) -
Yu Guo,
Ying Li,
Lili Zhao,
Rui Yang
Publication year - 2019
Publication title -
iop conference series. materials science and engineering
Language(s) - English
Resource type - Journals
eISSN - 1757-899X
pISSN - 1757-8981
DOI - 10.1088/1757-899x/612/2/022012
Subject(s) - stability (learning theory) , surface (topology) , surface energy , materials science , atom (system on chip) , chemical physics , computational chemistry , mathematics , physics , chemistry , geometry , computer science , composite material , machine learning , embedded system
In this paper, the stability of CIS (001) surface is studied through first-principles calculations. It is revealed that, different atom-terminated surface models have different formation energy. For many possible structural patterns, the stability of CIS (001) surface are also become more complicated.