Trends in formation energies and elastic moduli of ternary and quaternary transition metal nitrides
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23520%2F13%3A43918899" target="_blank" >RIV/49777513:23520/13:43918899 - isvavai.cz</a>
Result on the web
<a href="http://link.springer.com/article/10.1007/s10853-013-7582-4" target="_blank" >http://link.springer.com/article/10.1007/s10853-013-7582-4</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s10853-013-7582-4" target="_blank" >10.1007/s10853-013-7582-4</a>
Alternative languages
Result language
angličtina
Original language name
Trends in formation energies and elastic moduli of ternary and quaternary transition metal nitrides
Original language description
The paper deals with characteristics of a wide range of ternary and quaternary metal nitrides (M = Ti, Zr, Hf, V, Nb or Ta) of various compositions. We focus on the formation energies (E_form), bulk moduli (B), shear moduli (G) and a difference of B andG from the weighted average of B and G of binary metal nitrides (dB and dG). We show numerous monotonous dependencies, and identify exceptions to them. For elastic moduli of M1M2N we find that dB decreases (down to -19 GPa) and dG increases (up to 20 GPa) with increasing difference between atomic radii of M1 and M2. E_form of M1M2N increases with increasing difference between atomic radii and electronegativities of M1 and M2. The lowest E_form values were observed for Ta-containing compositions, and thedifference between E_form of TaM1M2N and M1M2N is more significant for lower atomic radius and higher electronegativity of M1 and M2. The phenomena shown can be tested experimentally, and examined for even wider range of materials.
Czech name
—
Czech description
—
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BL - Plasma physics and discharge through gases
OECD FORD branch
—
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
JOURNAL OF MATERIALS SCIENCE
ISSN
0022-2461
e-ISSN
—
Volume of the periodical
48
Issue of the periodical within the volume
21
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
7642-7651
UT code for WoS article
000323249500034
EID of the result in the Scopus database
—