1.
2.
3.
4.
5.
6.
7.
George, G., Ede, S. R. & Luo, Z. Fundamentals of Perovskite Oxides (CRC
Press, 2020).
Glazer, A. M. The classification of tilted octahedra in perovskites. Acta
Crystallogr. B Struct. Crystallogr. Cryst. Chem. 28, 3384–3392 (1972).
Kim, Y. J., Wakimoto, S., Shapiro, S. M., Gehring, P. M. & Ramirez, A. P.
Neutron scattering study of antiferromagnetic order in CaCu3Ti4O12. Solid
State Commun. 121, 625–629 (2002).
Tohyama, T., Saito, T., Mizumaki, M., Agui, A. & Shimakawa, Y.
Antiferromagnetic interaction between A′-site Mn spins in A-site-ordered
perovskite YMn3Al4O12. Inorg. Chem. 49, 2492–2495 (2010).
Shimakawa, Y. & Saito, T. A-site magnetism in A-site-ordered perovskitestructure oxides. Phys. Status Solidi B 249, 423–434 (2012).
Toyoda, M., Saito, T., Yamauchi, K., Shimakawa, Y. & Oguchi, T.
Superexchange interaction in the A-site ordered perovskite YMn3Al4O12. Phys.
Rev. B 92, 014420 (2015).
Saito, T. et al. Symmetry-breaking 60°-spin order in the A-site-ordered
perovskite LaMn3V4O12. Phys. Rev. B 90, 214405 (2014).
COMMUNICATIONS MATERIALS | (2022)3:51 | https://doi.org/10.1038/s43246-022-00274-y | www.nature.com/commsmat
A Self-archived copy in
Kyoto University Research Information Repository
https://repository.kulib.kyoto-u.ac.jp
COMMUNICATIONS MATERIALS | https://doi.org/10.1038/s43246-022-00274-y
8.
9.
10.
11.
12.
13.
14.
15.
16.
17.
18.
19.
20.
21.
22.
23.
24.
25.
26.
27.
28.
29.
30.
Ovsyannikov, S. V. et al. New antiferromagnetic perovskite CaCo3V4O12
prepared at high-pressure and high-temperature conditions. Inorg. Chem. 52,
11703–11710 (2013).
Ovsyannikov, S. V. et al. Structural and magnetic transitions in CaCo3V4O12
perovskite at extreme conditions. Inorg. Chem. 56, 6251–6263 (2017).
Amano Patino, M. et al. Multi-k spin ordering in CaFe3Ti4O12 stabilized by
spin-orbit coupling and further-neighbor exchange. Phys. Rev. Res. 3, 043208
(2021).
Shiraki, H. et al. Ferromagnetic cuprates CaCu3Ge4O12 and CaCu3Sn4O12 with
A-site ordered perovskite structure. Phys. Rev. B 76, 140403 (2007).
Brese, N. E. & O’Keeffe, M. Bond-valence parameters for solids. Acta
Crystallogr. Section B Struct. Sci. 47, 192–197 (1991).
Koo, H.-J., Xiang, H. J., Lee, C. & Whangbo, M.-H. Effect of magnetic dipole
−dipole interactions on the spin orientation and magnetic ordering of the
spin-ladder compound Sr3Fe2O5. Inorg. Chem. 48, 9051–9053 (2009).
Koo, H.-J. & Whangbo, M.-H. Spin exchange and magnetic dipole–dipole
Interactions leading to the magnetic superstructures of MAs2O6 (M = Mn,
Co, Ni). Inorg. Chem. 53, 3812–3817 (2014).
Xiang, H. J., Lee, C., Koo, H.-J., Gong, X. & Whangbo, M.-H. Magnetic
properties and energy-mapping analysis. Dalton Trans. 42, 823–853
(2012).
Whangbo, M. H. & Xiang, H. Handbook of Solid State Chemistry, Vol. 5,
285–343 (John Wiley & Sons, 2017).
Li, X. et al. Spin Hamiltonians in magnets: Theories and computations.
Molecules 26, 803 (2021).
Moriya, T. Anisotropic superexchange interaction and weak ferromagnetism.
Phys. Rev. 120, 91–98 (1960).
Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953–17979
(1994).
Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector
augmented-wave method. Phys. Rev. B 59, 1758–1775 (1999).
Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio totalenergy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169–11186
(1996).
Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation
made simple. Phys. Rev. Lett. 77, 3865–3868 (1996).
Dudarev, S. L., Botton, G. A., Savrasov, S. Y., Humphreys, C. J. & Sutton, A. P.
Electron-energy-loss spectra and the structural stability of nickel oxide: An
LSDA+U study. Phys. Rev. B 57, 1505–1509 (1998).
Toyoda, M., Yamauchi, K. & Oguchi, T. Ab initio study of magnetic coupling
in CaCu3B4O12 (B= Ge, Zr, and Sn). Phys. Rev. B 87, 224430 (2013).
Rhee, H. B. & Pickett, W. E. Strong interactions, narrow bands, and dominant
spin-orbit coupling in Mott insulating quadruple perovskite CaCo3V4O12.
Phys. Rev. B 90, 205119 (2014).
Whangbo, M.-H., Canadell, E., Foury, P. & Pouget, J.-P. Hidden Fermi surface
nesting and charge density wave instability in low-dimensional metals. Science
252, 96–98 (1991).
Avdeev, M. & Hester, J. R. ECHIDNA: A decade of high-resolution neutron
powder diffraction at OPAL. J. Appl. Crystallogr. 51, 1597–1604 (2018).
Toby, B. H. & Von Dreele, R. B. GSAS-II: The genesis of a modern opensource all purpose crystallography software package. J. Appl. Crystallogr. 46,
544–549 (2013).
Perez-Mato, J. M. et al. Symmetry-based computational tools for magnetic
crystallography. Annu. Rev. Mater. Res. 45, 217–248 (2015).
Kuneš, J., Novák, P., Schmid, R., Blaha, P. & Schwarz, K. Electronic structure
of fcc Th: Spin-orbit calculation with 6p1/2 local orbital extension. Phys. Rev. B
64, 153102 (2001).
ARTICLE
Acknowledgements
We thank Shogo Kawaguchi and Anucha Koedtruad for help in synchrotron X-ray
diffraction measurements. The synchrotron radiation experiments were performed at the
Japan Synchrotron Radiation Research Institute, Japan (proposal Nos. 2020A1137 and
2020A1671). This work was partly supported by Grants-in-Aid for Scientific Research
(Nos. 19K15585, 19H05823, 20K20547, and 20H00397) and by grant for the International Collaborative Research Programme of Institute for Chemical Research in Kyoto
University from MEXT of Japan. This work was also supported by the Japan Society for
the Promotion of Science Core-to-Core Programme (A) Advanced Research Networks.
The work at KHU was financially supported by the Basic Science Research Programme
through the National Research Foundation (NRF) of Korea, which was funded by the
Ministry of Education (2020R1A6A1A03048004).
Author contributions
The study was designed by M.A.P., F.D.R., and Y.S. Sample synthesis was carried out by
M.A.P. and F.D.R. Structural and physical property characterisation was performed by
M.A.P. and F.D.R. with contributions from S.D.I. and M.G. M.A. collected neutron powder
diffraction data and analysis of these was carried out by M.A.P. and F.D.R. DFT calculations were carried out and analyzed by H.-J.K. and M.-H.W. to find the role of the
underlying kagome lattice. The manuscript was written with contributions from all authors.
Competing interests
The authors declare no competing interests.
Additional information
Supplementary information The online version contains supplementary material
available at https://doi.org/10.1038/s43246-022-00274-y.
Correspondence and requests for materials should be addressed to Fabio Denis Romero,
Hyun-Joo Koo or Yuichi Shimakawa.
Peer review information Communications Materials thanks the anonymous reviewers
for their contribution to the peer review of this work. Primary Handling Editors: Alannah
Hallas and Aldo Isidori.
Reprints and permission information is available at http://www.nature.com/reprints
Publisher’s note Springer Nature remains neutral with regard to jurisdictional claims in
published maps and institutional affiliations.
Open Access This article is licensed under a Creative Commons
Attribution 4.0 International License, which permits use, sharing,
adaptation, distribution and reproduction in any medium or format, as long as you give
appropriate credit to the original author(s) and the source, provide a link to the Creative
Commons license, and indicate if changes were made. The images or other third party
material in this article are included in the article’s Creative Commons license, unless
indicated otherwise in a credit line to the material. If material is not included in the
article’s Creative Commons license and your intended use is not permitted by statutory
regulation or exceeds the permitted use, you will need to obtain permission directly from
the copyright holder. To view a copy of this license, visit http://creativecommons.org/
licenses/by/4.0/.
© The Author(s) 2022
COMMUNICATIONS MATERIALS | (2022)3:51 | https://doi.org/10.1038/s43246-022-00274-y | www.nature.com/commsmat
...
論文の公開元へ
