Prediction of semiconductor material properties by the properties of theirconstituent chemical elements

Citation
Kl. Heng et al., Prediction of semiconductor material properties by the properties of theirconstituent chemical elements, CHEM MATER, 12(6), 2000, pp. 1648-1653
Citations number
12
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science","Material Science & Engineering
Journal title
CHEMISTRY OF MATERIALS
ISSN journal
08974756 → ACNP
Volume
12
Issue
6
Year of publication
2000
Pages
1648 - 1653
Database
ISI
SICI code
0897-4756(200006)12:6<1648:POSMPB>2.0.ZU;2-S
Abstract
We demonstrate that it is possible to predict the semiconductor material pr operties, like lattice constant and band gap energy, from their chemical st oichiometries and fundamental element properties of the constituents. We us e a correlation technique to show that band gap energy is strongly correlat ed to electronegativity and pseudopotential radii whereas the lattice const ant is strongly correlated to melting temperature and atomic number. Predic tion of band gap energy and lattice constant of some III-V and II-VI semico nductors is made on the basis of the developed correlation model. The techn ique can also be applied to predict bulk properties of ternary or quaternar y semiconductors.