| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5380422 | Chemical Physics Letters | 2014 | 6 Pages |
Abstract
- Structural and electronic properties of TiAu4â/0 are studied with PES and DFT methods.
- PES spectra of TiAu4â show a large energy gap suggesting the neutral TiAu4 is stable.
- TiAu4â is found to have a slightly distorted tetrahedral structure.
- The closed shell neutral TiAu4 has perfect Td symmetry.
- Chemical bonding analyses suggest that the AuTi bonds have multiple bond characters.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yusuf Erdogdu, Tian Jian, Gary V. Lopez, Wei-Li Li, Lai-Sheng Wang,