Novel copper fluoride analogs of cuprates.
Nikita Rybin
1, 2, 3, 4
,
Dmitry Y. Novoselov
1, 2, 3, 4, 5, 6, 7, 8
,
D. M. Korotin
1, 2, 3, 4, 5, 7, 8
,
V.I. Anisimov
1, 5, 6
,
Vladimir I Anisimov
2, 3, 4, 7, 8
,
A. R. Oganov
1, 2, 3, 4
1
3
Moscow 121205
4
Russia
|
8
Yekaterinburg
|
Publication type: Journal Article
Publication date: 2021-07-07
scimago Q2
wos Q2
SJR: 0.698
CiteScore: 5.3
Impact factor: 2.9
ISSN: 14639076, 14639084
PubMed ID:
34318813
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
On the basis of the first-principles evolutionary crystal structure prediction of stable compounds in the Cu-F system, we predict two experimentally unknown stable phases - Cu2F5 and CuF3. Cu2F5 comprises two interacting magnetic subsystems with Cu atoms in the oxidation states +2 and +3. CuF3 contains magnetic Cu3+ ions forming a lattice by antiferromagnetic coupling. We showed that some or all of Cu3+ ions can be reduced to Cu2+ by electron doping, as in the well-known KCuF3. Significant similarities between the electronic structures calculated in the framework of DFT+U suggest that doped CuF3 and Cu2F5 may exhibit high-Tc superconductivity with the same mechanism as in cuprates.
Found
Nothing found, try to update filter.
Found
Nothing found, try to update filter.
Top-30
Journals
|
1
2
|
|
|
Physical Review B
2 publications, 22.22%
|
|
|
Journal of Physics Condensed Matter
1 publication, 11.11%
|
|
|
Computational Condensed Matter
1 publication, 11.11%
|
|
|
Journal of Physical Chemistry C
1 publication, 11.11%
|
|
|
Dalton Transactions
1 publication, 11.11%
|
|
|
Journal of Magnetism and Magnetic Materials
1 publication, 11.11%
|
|
|
Computational and Theoretical Chemistry
1 publication, 11.11%
|
|
|
Physical Chemistry Chemical Physics
1 publication, 11.11%
|
|
|
1
2
|
Publishers
|
1
2
3
|
|
|
Elsevier
3 publications, 33.33%
|
|
|
American Physical Society (APS)
2 publications, 22.22%
|
|
|
Royal Society of Chemistry (RSC)
2 publications, 22.22%
|
|
|
IOP Publishing
1 publication, 11.11%
|
|
|
American Chemical Society (ACS)
1 publication, 11.11%
|
|
|
1
2
3
|
- We do not take into account publications without a DOI.
- Statistics recalculated weekly.
Are you a researcher?
Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
9
Total citations:
9
Citations from 2024:
4
(44.44%)
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
Rybin N. et al. Novel copper fluoride analogs of cuprates. // Physical Chemistry Chemical Physics. 2021. Vol. 23. No. 30. pp. 15989-15993.
GOST all authors (up to 50)
Copy
Rybin N., Novoselov D. Y., Korotin D. M., Anisimov V., Anisimov V. I., Oganov A. R. Novel copper fluoride analogs of cuprates. // Physical Chemistry Chemical Physics. 2021. Vol. 23. No. 30. pp. 15989-15993.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1039/d1cp00657f
UR - https://xlink.rsc.org/?DOI=D1CP00657F
TI - Novel copper fluoride analogs of cuprates.
T2 - Physical Chemistry Chemical Physics
AU - Rybin, Nikita
AU - Novoselov, Dmitry Y.
AU - Korotin, D. M.
AU - Anisimov, V.I.
AU - Anisimov, Vladimir I
AU - Oganov, A. R.
PY - 2021
DA - 2021/07/07
PB - Royal Society of Chemistry (RSC)
SP - 15989-15993
IS - 30
VL - 23
PMID - 34318813
SN - 1463-9076
SN - 1463-9084
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2021_Rybin,
author = {Nikita Rybin and Dmitry Y. Novoselov and D. M. Korotin and V.I. Anisimov and Vladimir I Anisimov and A. R. Oganov},
title = {Novel copper fluoride analogs of cuprates.},
journal = {Physical Chemistry Chemical Physics},
year = {2021},
volume = {23},
publisher = {Royal Society of Chemistry (RSC)},
month = {jul},
url = {https://xlink.rsc.org/?DOI=D1CP00657F},
number = {30},
pages = {15989--15993},
doi = {10.1039/d1cp00657f}
}
Cite this
MLA
Copy
Rybin, Nikita, et al. “Novel copper fluoride analogs of cuprates..” Physical Chemistry Chemical Physics, vol. 23, no. 30, Jul. 2021, pp. 15989-15993. https://xlink.rsc.org/?DOI=D1CP00657F.