A simple model for calculating the compressibility of the transition-metal carbides and nitrides alloys ZrxNb1−xC and ZrxNb1−xN

• Authors: Vassiliki Katsika-Tsigourakou
• Languages of publication: EN

Abstracts

EN

The 4d-transition-metals carbides (ZrC, NbC) and nitrides (ZrN, NbN) in the rocksalt structure, as well as their ternary alloys, have been recently studied by means of a first-principles full potential linearized augmented plane waves method within the local density approximation. These materials are important because of their interesting mechanical and physical properties, which make them suitable for many technological applications. Here, by using a simple theoretical model, we estimate the bulk moduli of their ternary alloys ZrxNb1−xC and ZrxNb1−xN in terms of the bulk moduli of the end members alone. The results are comparable to those deduced from the first-principles calculations.

Keywords

EN

bulk modulus; defects; mixed crystals

• Publisher: De Gruyter Open
• Journal: Open Physics
• Year: 2011
• Volume: 9
• Issue: 5
• Pages: 1309-1314

Dates

published

1 - 10 - 2011

online

15 - 9 - 2011

Contributors

author

Vassiliki Katsika-Tsigourakou

• Department of Solid State Physics, Faculty of Physics, University of Athens, Panepistimiopolis, 157 84, Zografos, Greece

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Identifiers

DOI

10.2478/s11534-011-0052-1