Ab-initio study of surface energies and structural influece of vacancies in titanium nitride nanolayer
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F21%3A00561216" target="_blank" >RIV/68378271:_____/21:00561216 - isvavai.cz</a>
Result on the web
<a href="https://www.confer.cz/nanocon/2020/read/3706-ab-initio-study-of-point-defects-formation-in-ti-tin-nanolayer.pdf" target="_blank" >https://www.confer.cz/nanocon/2020/read/3706-ab-initio-study-of-point-defects-formation-in-ti-tin-nanolayer.pdf</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.37904/nanocon.2020.3706" target="_blank" >10.37904/nanocon.2020.3706</a>
Alternative languages
Result language
angličtina
Original language name
Ab-initio study of surface energies and structural influece of vacancies in titanium nitride nanolayer
Original language description
The surface energies of 8 crystallographic planes and effects of nitrogen vacancies on the lattice parameter in rock salt-like structure of TiN (σ-TiN) were studied using ab-initio method of density functional theory (DFT) with the generalized gradient approximation functional (GGA) as parametrized by Perdex, Burke and Ernzerhof (PBE). The linear decrease of lattice parameter with the increasing presence of nitrogen vacancies up to ca. 80% was observed.n
Czech name
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Czech description
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Classification
Type
D - Article in proceedings
CEP classification
—
OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
<a href="/en/project/EF16_019%2F0000760" target="_blank" >EF16_019/0000760: Solid State Physics for 21st century</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
NANOCON 2020. 12th International Conference on Nanomaterials - Research & Application. Conference proceedings
ISBN
978-80-87294-98-7
ISSN
2694-930X
e-ISSN
—
Number of pages
7
Pages from-to
214-220
Publisher name
TANGER
Place of publication
Ostrava
Event location
Brno
Event date
Oct 21, 2020
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
000664505500036