Ontology highlight
ABSTRACT:
SUBMITTER: Miglio A
PROVIDER: S-EPMC5604395 | biostudies-literature | 2017 Sep
REPOSITORIES: biostudies-literature
Advanced science (Weinheim, Baden-Wurttemberg, Germany) 20170522 9
Quaternary chalcopyrites have shown to exhibit tunable band gaps with changing anion composition. Inspired by these observations, the underlying structural and electronic considerations are investigated using a combination of experimentally obtained structural data, molecular orbital considerations, and density functional theory. Within the solid solution Cu<sub>2</sub>ZnGeS<sub>4-</sub><i><sub>x</sub></i> Se <i><sub>x</sub></i> , the anion bond alteration parameter changes, showing larger bond ...[more]