Published July 28, 2008
| Version v1
Journal article
First-principles study on electronic structure and elastic properties of Ti2SC
Creators
- 1. Department of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China)
- 2. Materials Research Institute for Sustainable Development, National Institute of Advanced Industrial Science and Technology (AIST), Nagoya 463-8560 (Japan)
Description
We have performed first-principles study on electronic structure and elastic properties of Ti2SC. The absence of band gap at the Fermi level and the finite value of the density of states at the Fermi energy reveal the metallic behavior of this compound. The five independent elastic constants were derived and the bulk modulus, Young's modulus, shear modulus, and Poisson's ratio were determined. The high bulk modulus and hardness was found to be originated from the strong Ti 3d-S 2p hybridization. Such strong M-A bonding is unusual in the MAX phases studied so far. Ti2SC is elastically stable and exhibits highly elastic isotropy
Availability note (English)
Available from http://dx.doi.org/10.1016/j.physleta.2008.05.079Additional details
Identifiers
- DOI
- 10.1016/j.physleta.2008.05.079;
- PII
- S0375-9601(08)00845-1;
Publishing Information
- Journal Title
- Physics Letters. A
- Journal Volume
- 372
- Journal Issue
- 31
- Journal Page Range
- p. 5220-5223
- ISSN
- 0375-9601
- CODEN
- PYLAAG
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 40049711
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- CARBON COMPOUNDS; ELASTICITY; ELECTRONIC STRUCTURE; FERMI LEVEL; HARDNESS; ISOTROPY; POISSON RATIO; SULFUR COMPOUNDS; TITANIUM COMPOUNDS; YOUNG MODULUS
- Descriptors DEC
- DIMENSIONLESS NUMBERS; ENERGY LEVELS; MECHANICAL PROPERTIES; TRANSITION ELEMENT COMPOUNDS
Optional Information
- Copyright
- Copyright (c) 2008 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.