Loading...
Please wait, while we are loading the content...
Similar Documents
The d p type π-bond and chiral charge density wave in 1 T-TiSe 2
| Content Provider | Semantic Scholar |
|---|---|
| Author | Shu, Guo-Jiun Liou, Sz-Chian Lin, Chih-Kai Hayashi, Michitoshi Fang Chou, Cheng-Fu |
| Copyright Year | 2018 |
| Abstract | Based on atomic electronic configuration and Ti-Se coordination, a valence bond model for the layered transition metal dichalcogenide (TMDC) 1T -TiSe2 is proposed. 1T -TiSe2 is viewed being composed of edge-sharing TiSe4-plaquettes as TiSe2-ribbon chains in each layer via a directional valence shell electron distribution as chemical bonds, in contrast to the conventional layer view of face-sharing TiSe6-octahedra. The four valence electrons per Ti in hybridized dsp2-orbitals of square coordination form σ -bonds with the four nearest neighbor Se atoms in the chain. The electrons in the lone pair of the Se-4pz orbital are proposed to form a d p type π-bond via side-to-side orbital overlap with the empty Ti-3dxz/3dyz orbitals within each chain, which is positively supported by quantum chemistry calculations. A study of electron energy loss spectroscopy (EELS) with transmission electron microscopy (TEM) for 1T -TiSe2 is presented to show an energy loss near ∼7 and ∼20 eV, which confirms the existence of collective plasmon oscillations with the predicted effective electron numbers for the πand (π +σ )-bond electrons, respectively. |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | http://www.rsc.org/suppdata/c8/dt/c8dt03663b/c8dt03663b1.pdf |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
