Electronic and elastic properties of TixZr1-xN*
Authors
Bin Wang, Zengbao Wang, Wei Song
Corresponding Author
Bin Wang
Available Online June 2016.
- DOI
- 10.2991/mmebc-16.2016.268How to use a DOI?
- Keywords
- TixZr1-xN, crystal lattice parameter, elastic constants, elastic modulus, electronic structure
- Abstract
The lattice parameter, elastic modulus, elastic constants and electronic structure of TixZr1-xN(x=0, 0.25, 0.5, 0.75, 1) were studied with first-principle pseudopotential plane-waves method. The lattice parameters of TixZr1-xN increase with Zr atoms increasing. Bulk modulus B, shear modulus G and Young's Modulus E express a monotonously decreasing with Zr concentration. For the shear modulus is proportional to the hardness, the hardness is supposed to be decreasing with Zr concentration. By analyzing the density of states, N p and Ti(Zr) d states hybridized strongly, which form the strong p-d covalent bonds, having positive impact on the hardness.
- Copyright
- © 2016, the Authors. Published by Atlantis Press.
- Open Access
- This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).
Cite this article
TY - CONF AU - Bin Wang AU - Zengbao Wang AU - Wei Song PY - 2016/06 DA - 2016/06 TI - Electronic and elastic properties of TixZr1-xN* BT - Proceedings of the 2016 6th International Conference on Machinery, Materials, Environment, Biotechnology and Computer PB - Atlantis Press SP - 1309 EP - 1313 SN - 2352-5401 UR - https://doi.org/10.2991/mmebc-16.2016.268 DO - 10.2991/mmebc-16.2016.268 ID - Wang2016/06 ER -