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Ultra-incompressible and hard technetium carbide and rhenium carbide: First-principles prediction

✍ Scribed by Yuan Xu Wang


Book ID
112182706
Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
230 KB
Volume
2
Category
Article
ISSN
1862-6254

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First principles investigation on the ul
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## Abstract The structural, electronic, and mechanical properties of TaN were investigated by use of the density functional theory (DFT). Eight structures were considered, i.e., hexagonal WC, TaN, NiAs, wurtzite, and CoSn structures, cubic NaCl, zinc‐blende and CsCl structures. The results indicate