Ab-initio calculations of the electronic structure and cohesive properties of the orthorhombic oxynitrides x2n2o (x = c, si, ge)

A. L. Ivanovskii*, N. I. Medvedeva, Oleg Y Kontsevoi, G. P. Shveikin

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

The full-potential LMTO method was used for the investigation of the electronic structure and chemical bonding of the silicon, germanium and hypothetical carbon oxynitrides. The isovalent substitution of Si by C allows to compare the role of Si and C in the processes of chemical bonding and cohesive properties. It was shown that doping by carbon may lead to stronger covalent bonding and therefore the new ceramic materials based on the Si-C-Al-O-N system can have improved mechanical characteristics.

Original languageEnglish (US)
Pages (from-to)647-655
Number of pages9
JournalPhysica Status Solidi (B) Basic Research
Volume221
Issue number2
DOIs
StatePublished - Jan 1 2000

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Fingerprint Dive into the research topics of 'Ab-initio calculations of the electronic structure and cohesive properties of the orthorhombic oxynitrides x<sub>2</sub>n<sub>2</sub>o (x = c, si, ge)'. Together they form a unique fingerprint.

Cite this