volume 17 issue 17 pages 11763-11769

Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study

Shuyin Yu 1, 2
Qingfeng Zeng 1, 2
A. R. Oganov 2, 3, 4
LITONG ZHANG 1
Publication typeJournal Article
Publication date2015-04-01
scimago Q2
wos Q2
SJR0.698
CiteScore5.3
Impact factor2.9
ISSN14639076, 14639084
PubMed ID:  25869225
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract

New crystal structures of Ti–N compounds: (a) Immm-Ti3N2 at 0 GPa, (b) C2/m-Ti4N3 at 0 GPa, (c) C2/m-Ti6N5 at 0 GPa, and (d) Cmcm-Ti2N at 60 GPa.

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GOST |
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GOST Copy
Yu S. et al. Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study // Physical Chemistry Chemical Physics. 2015. Vol. 17. No. 17. pp. 11763-11769.
GOST all authors (up to 50) Copy
Yu S., Zeng Q., Oganov A. R., Frapper G., ZHANG L. Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study // Physical Chemistry Chemical Physics. 2015. Vol. 17. No. 17. pp. 11763-11769.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1039/c5cp00156k
UR - https://doi.org/10.1039/c5cp00156k
TI - Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study
T2 - Physical Chemistry Chemical Physics
AU - Yu, Shuyin
AU - Zeng, Qingfeng
AU - Oganov, A. R.
AU - Frapper, Gilles
AU - ZHANG, LITONG
PY - 2015
DA - 2015/04/01
PB - Royal Society of Chemistry (RSC)
SP - 11763-11769
IS - 17
VL - 17
PMID - 25869225
SN - 1463-9076
SN - 1463-9084
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2015_Yu,
author = {Shuyin Yu and Qingfeng Zeng and A. R. Oganov and Gilles Frapper and LITONG ZHANG},
title = {Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study},
journal = {Physical Chemistry Chemical Physics},
year = {2015},
volume = {17},
publisher = {Royal Society of Chemistry (RSC)},
month = {apr},
url = {https://doi.org/10.1039/c5cp00156k},
number = {17},
pages = {11763--11769},
doi = {10.1039/c5cp00156k}
}
MLA
Cite this
MLA Copy
Yu., Shuyin, et al. “Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study.” Physical Chemistry Chemical Physics, vol. 17, no. 17, Apr. 2015, pp. 11763-11769. https://doi.org/10.1039/c5cp00156k.