An ab initio study of the polytypism in InP

• DOI: 10.1038/srep33914
• Publication Date: 2016-09-26T11:01:28Z
• Authors: Luis C. O. Dacal; A. Cantarero
• Keywords: 02 engineering and technology; 0210 nano-technology; Article

The existence of polytypism in semiconductor nanostructures gives rise to the appearance stacking faults which many times can be treated as quantum wells. In some cases, despite a careful growth, hardly avoided. this work, we perform an ab initio study zincblende wurtzite InP system, using supercell approach and taking limit low density narrow regions. Our results confirm type II band alignment between phases, producing reliable qualitative description gap evolution along growth axis. These show spacial asymmetry wells, that is expected due fact sequence (ABAB) part one (ABCABC), but with unexpected valence conduction bands. We also present for complex dielectric function, clearly showing influence on homostructure values surprisingly proving correspondent bulk used reproduce even considered.