Effect of Titanium Induced Chemical Inhomogeneity on Crystal Structure, Electronic Structure, and Optical Properties of Wide Band Gap Ga 2 O 3
- Award ID(s):
- 1827745
- NSF-PAR ID:
- 10160694
- Date Published:
- Journal Name:
- Crystal Growth & Design
- Volume:
- 20
- Issue:
- 3
- ISSN:
- 1528-7483
- Page Range / eLocation ID:
- 1422 to 1433
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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null (Ed.)A rare-earth-containing compound, ytterbium aluminium antimonide, Yb 3 AlSb 3 (Ca 3 AlAs 3 -type structure), has been successfully synthesized within the Yb–Al–Sb system through flux methods. According to the Zintl formalism, this structure is nominally made up of (Yb 2+ ) 3 [(Al 1− )( 1b – Sb 2− ) 2 ( 2b – Sb 1− )], where 1b and 2b indicate 1-bonded and 2-bonded, respectively, and Al is treated as part of the covalent anionic network. The crystal structure features infinite corner-sharing AlSb 4 tetrahedra, [AlSb 2 Sb 2/2 ] 6− , with Yb 2+ cations residing between the tetrahedra to provide charge balance. Herein, the synthetic conditions, the crystal structure determined from single-crystal X-ray diffraction data, and electronic structure calculations are reported.more » « less