Electronic Resource
Woodbury, NY
:
American Institute of Physics (AIP)
Applied Physics Letters
76 (2000), S. 2226-2228
ISSN:
1077-3118
Source:
AIP Digital Archive
Topics:
Physics
Notes:
We have investigated the electronic structure of Ti3SiC2 by means of first-principles self-consistent total-energy calculations within the local-density approximation using the full-potential linear-muffin-tin-orbital method. Our calculated volume is in good agreement (within 4%) with experiment. Also, the calculated values for c/a and positional parameters are in excellent agreement with the experimental data. We have compared the electronic structure of Ti3SiC2 with TiC. Our calculations show that Ti3SiC2 has a chemical bonding similar to the one of TiC, which is predominantly covalent. © 2000 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.126304
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