view article
Figure 3
The hybrid DFT (HSE06) calculated electronic density of states for (upper panel) β-CuAlO2 and (lower panel) β-CuGaO2. The atomic components are obtained by projecting the periodic wavefunctions onto atom-centred spherical harmonics.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 71| Part 6| December 2015| Pages 702-706
https://doi.org/10.1107/S2052520615018387
Follow Acta Cryst. B
Sign up for e-alerts
E-alerts
Follow Acta Cryst. on Twitter
Twitter
Follow us on facebook
Facebook
Sign up for RSS feeds
RSS