## Abstract For Abstract see ChemInform Abstract in Full Text.
First principles study of substoichiometric germanium oxides
โ Scribed by Jan Felix Binder; Peter Broqvist; Alfredo Pasquarello
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 325 KB
- Volume
- 86
- Category
- Article
- ISSN
- 0167-9317
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Abstract Atomic and electronic structure of nitridoaluminosilicate CaAlSiN~3~ (__Cmc__ 2~1~, No. 36), a distorted AlNโbased wurtzite superstructure with Al and Si disordered on 8b site and Ca occupying 4a site, has been investigated by firstโprinciples pseudopotential method based on density fun
## Abstract Electronic structures and carrier transport properties were studied based on abโinitio calculations for Au/ZnO/Au and Mg/ZnO/Mg twoโprobe models. Quantumโmechanically stable structures were obtained by density functional calculations. Electron transmission spectra and currentโvoltage ch