Publication Date:
2015-10-22
Description:
Author(s): Vincent H.-Y. Chen, Giuseppe Mallia, Ruth Martínez-Casado, and Nicholas M. Harrison The reconstruction and energetics for a range of chalcopyrite ( CuFeS 2 ) surfaces have been investigated using hybrid-exchange density functional theory. The stable nonpolar surfaces in increasing order of surface energy are (110), (102), and (114). In addition, the polar ( 112 ) / ( 112 ¯ ) surface pair was… [Phys. Rev. B 92, 155426] Published Wed Oct 21, 2015
Keywords:
Surface physics, nanoscale physics, low-dimensional systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics