Using chemical-vapor deposition (CVD) precursors, group-IV compounds such as Si4C and Ge4C, which incorporate 20 at. % carbon, have been synthesized. Here we present systematic ab initio studies of the electronic and structural properties of group-IV compounds formed from CVD precursors. We also propose a class of precursor molecules for materials containing 25 at. % carbon. These compounds are energetically comparable to already synthesized materials (e.g., Ge4C) and are semimetallic within the local-density approximation. In addition, we give information for two previously proposed group-IV compounds, Si2Sn2C and Ge3SnC, which are direct-gap semiconductors and match the lattice of silicon to within 1%.
|Original language||English (US)|
|Number of pages||21168100|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - Dec 15 2001|
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics