liu.seSearch for publications in DiVA
Change search
ReferencesLink to record
Permanent link

Direct link
General trend of the mechanical properties of the ternary carbides M3SiC2 (M=transition metal)
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology.
Show others and affiliations
2006 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, Vol. 74, no 5Article in journal (Refereed) Published
Abstract [en]

We present results from first-principles calculations of ternary transition metal carbides in the M3SiC2 series (where M=early transition metal). We predict structural and mechanical properties of these new M(N+1)AX(N) phases. The bulk modulus of the ternary carbides, M3SiC2, are in the calculations found to be proportional to the bulk modulus of the corresponding binary carbides, MC. We have analyzed this behavior using a simple, nearest-neighbor bond model, as well as from first-principles total energy calculations and have found that it is caused by a considerably weaker M-Si bond compared to the M-C bond.

Place, publisher, year, edition, pages
2006. Vol. 74, no 5
National Category
Engineering and Technology
URN: urn:nbn:se:liu:diva-45994DOI: 10.1103/PhysRevB.74.054106OAI: diva2:266890
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2016-08-31

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Eriksson, OliviaHultman, Lars
By organisation
The Institute of TechnologyDepartment of Physics, Chemistry and BiologyThin Film Physics
In the same journal
Physical Review B. Condensed Matter and Materials Physics
Engineering and Technology

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 38 hits
ReferencesLink to record
Permanent link

Direct link