Abstract
We present the quasiparticle energy and optical absorption spectrum results of 1D linear H, BN, C, and Au chains, which are the lower size limit of a periodic material, by using ab initio many-body approaches. Unprecedentedly large quasiparticle corrections and excitonic effects are revealed in these extreme systems compared with quasi-1D, 2D, and 3D periodic systems. The binding energy of the bound exciton is up to 3.55eV in the semiconducting BN chain and 0.5eV in the metallic C chain, the latter of which is the largest in a metallic system.
| Original language | English |
|---|---|
| Pages (from-to) | 1636-1643 |
| Number of pages | 8 |
| Journal | Physica Status Solidi (B): Basic Research |
| Volume | 250 |
| Issue number | 8 |
| DOIs | |
| Publication status | Published - Aug 2013 |
| Externally published | Yes |
Keywords
- Excitons
- Linear atomic chains
- Many-body effects
- Optical absorption
- Quasiparticles