Coupling and electrical control of structural, orbital and magnetic orders in perovskites

Scientific Reports

Volumn 5, Issue , 2015, Pages

  Varignon, Julien ^a   Bristowe, Nicholas C ^a,b   Bousquet, Eric ^a   Ghosez, Philippe ^a  

^a UNIVERSITY OF LIÈGE   (Belgium)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84944936945     PISSN: None     EISSN: 20452322     Source Type: Journal    
DOI: 10.1038/srep15364     Document Type: Article

References (64)

1. Bednorz, J. G., Müller, K. A. Possible high Tc superconductivity in the Ba-La-Cu-O system. Zeitschrift für Physik B Condensed Matter 64 189-193 (1986).
2. Jin, S. et al. Thousandfold change in resistivity in magnetoresistive La-Ca-Mn-O films. Science 264, 413-415 (1994).
3. Zubko, P., Gariglio, S., Gabay, M., Ghosez, Ph., Triscone, J. M. Interface physics in complex oxide heterostructures. Annu. Rev. Condens. Matter Phys. 2, 141-165 (2011).
4. Hwang, H. et al. Emergent phenomena at oxide interfaces. Nature Materials 11, 103-113 (2012).
5. Tokura, Y., Nagaosa, N. Orbital physics in transition-metal oxides. Science 88, 462-468 (2000).
6. Dagotto, E. Complexity in strongly correlated electronic systems. Science 309, 257-262 (2005).
7. Bibes, M., Barthélémy, A. Towards a magnetoelectric memory. Nature Materials 7, 425-426 (2008).
8. Scott, J. Applications of modern ferroelectrics. Science 315, 954-959 (2007).
9. Scott, J. Data storage: Multiferroic memories. Nature Materials 6, 256-257 (2007).
10. Bousquet, E. et al. Improper ferroelectricity in perovskite oxide artificial superlattices. Nature 452, 732-736 (2008).
11. Fukushima, T., Stroppa, A., Picozzi, S., Perez-Mato, J. M. Large ferroelectric polarization in the new double perovskite NaLaMnWO6 induced by non-polar instabilities. Phys. Chem. Chem. Phys. 13, 12186-12190 (2011).
12. Rondinelli, J. M., Fennie, C. J. Octahedral rotation-induced ferroelectricity in cation ordered perovskites. Adv. Materials 24, 1961-1968 (2012).
13. Benedek, N. A., Fennie, C. J. Hybrid improper ferroelectricity: a mechanism for controllable polarization-magnetization coupling. Phys. Rev. Lett. 106, 107204 (2011).
14. Zanolli, Z., Wojdel, J. C., Iniguez, J & Ghosez, Ph. Electric control of the magnetization in BiFeO3/LaFeO3 superlattices. Phys. Rev. B 88, 060102(R) (2013).
15. Mulder, A. T., Benedek, N. A., Rondinelli, J. M., Fennie, C. J. Turning ABO3 antiferroelectrics into ferroelectrics: Design rules for practical rotation-driven ferroelectricity in double perovskites and A3B2O7 ruddlesden-popper compounds. Adv. Func. Mater 23, 4810-4820 (2013).
16. Bellaiche, L., Íniguez, J. Universal collaborative couplings between oxygen-octahedral rotations and antiferroelectric distortions in perovskites. Phys. Rev. B 88, 014104 (2013).
17. Yang, Y., Íniguez, J., Mao, A.-J., Bellaiche, L. Prediction of a Novel Magnetoelectric Switching Mechanism in Multiferroics. Phys. Rev. Lett. 112, 057202 (2014).
18. Stroppa, A., Barone, P., Jain, P., Perez-Mato, J. M., Picozzi, S. Hybrid improper ferroelectricity in a multiferroic and magnetoelectric metal-organic framework. Adv. Mater. 25, 2284-2290 (2013).
19. Tian, Y. et al. High-temperature ferroelectricity and strong magnetoelectric effects in a hybrid organic-inorganic perovskite framework. Phys. Status Solidi RRL 1, 1-6 (2014).
20. Bersucker, I. et al. The Jahn-Teller Effect: Fundamentals and Implications for Physics and Chemistry Vol. 97 (eds. Köppel, H., Yarkony, D. R., Barentzen, H.) (Springer, 2009).
21. Onoda, M., Ohta, H., Nagasawa, H. Metallic properties of perovskite oxide SrVO3. Solid State Comm. 79, 281-285 (1991).
22. Wold, A., Ward, R. Perovskite-type oxides of cobalt, chromium and vanadium with some rare earth elements. J. Am. Chem. Soc. 76, 1029-1030 (1954).
23. Bordet, P. et al. Structural aspects of the crystallographic-magnetic transition in LaVO3 around 140 K. J. Solid State Chem. 106, 253-270 (1993).
24. Kawano, H., Yoshizawa, H., Ueda, Y. Magnetic behavior of a mott-insulator YVO3. J. Phys. Soc. Jpn 63, 2857-2861 (1994).
25. Miyasaka, S., Okimoto, S., Iwama, N., Tokura, Y. Spin-orbital phase diagram of perovskite-type RVO3 (R = Rare-Earth ion or Y). Phys. Rev. B 68, 100406 (2003).
26. Sage, M. H., Blake, G., Marquina, C., Palstra, T. Competing orbital ordering in RVO3 compounds: High-resolution X-ray diffraction and thermal expansion. Phys. Rev. B 76, 195102 (2007).
27. Mahajan, A., Johnston, D., Torgeson, D., Borsa, F. Magnetic properties of LaVO3. Phys. Rev. B 46, 10966 (1992).
28. Ren, Y. et al. Temperature-induced magnetization reversal in a YVO3 single crystal. Nature 396, 441-444 (1998).
29. Tung, L. et al. Spin, orbital ordering, and magnetic dynamics of LaVO3: Magnetization, heat capacity, and neutron scattering studies. Phys. Rev. B 78, 054416 (2008).
30. Tung, L., Lees, M., Balakrishnan, G., Paul, D. M. Magnetization reversal in orthovanadate RVO3 compounds (R = La, Nd, Sm, Gd, Er, and Y): Inhomogeneities caused by defects in the orbital sector of quasi-one-dimensional orbital systems. Phys. Rev. B 75, 104404 (2007).
31. Ulrich, C. et al. Magnetic neutron scattering study of YVO3: Evidence for an orbital peierls state. Phys. Rev. Lett. 91, 257202 (2003).
32. Arima, T. H., Tokura, Y. Optical study of electronic structure in perovskite-type RMO3 (R = La, Y; M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu). J. Phys. Soc. Jpn 64, 2488-2501 (1995).
33. Noguchi, M. et al. Synchrotron X-ray-diffraction study of orbital ordering in YVO3. Phys. Rev. B 62, R9271 (2000).
34. Khaliullin, G., Horsch, P., Ole?, A. M. Spin order due to orbital fluctuations: Cubic vanadates. Phys. Rev. Lett. 86, 3879 (2001).
35. Sawada, H., Terakura, K. Orbital and magnetic orderings in localized t2g systems, YTiO3 and YVO3: Comparison with a more itinerant eg LaMnO3. Phys. Rev. B 58, 6831 (1998).
36. Blake, G. R., Palstra, T., Ren, Y., Nugroho, A. A., Menovsky, A. Transition between orbital orderings in YVO3. Phys. Rev. Lett. 87, 245501 (2001).
37. De Raychaudhury, M., Pavarini, E., Andersen, O. Orbital fluctuations in the different phases of LaVO3 and YVO3. Phys. Rev. Lett. 99, 126402 (2007).
38. Carpenter, M. A., Howard, C. J. Symmetry rules and strain/order-parameter relationships for coupling between octahedral tilting and cooperative Jahn-Teller transitions in ABX3 perovskites. i. theory. Acta Cryst. B 65, 134-146 (2009).
39. Carpenter, M. A., Howard, C. J. Symmetry rules and strain/order-parameter relationships for coupling between octahedral tilting and cooperative Jahn-Teller transitions in ABX3 perovskites. i. application. Acta Cryst. B 65, 147-159 (2009).
40. Varignon, J., Bristowe, N. C., Ghosez, P. Electric field control of Jahn-Teller distortions in bulk perovskites. arXiv:1505.03413.
41. Goodenough, J. B. Jahn-Teller phenomena in solids. Annual. Rev. of Materials Science 28, 1-27 (1998).
42. Goodenough, J. B. An interpretation of the magnetic properties of the perovskite-type mixed crystals La1?xSrxCoO3. J. Phys. Chem. Solids 6, 287-297 (1958).
43. Kanamori, J. Superexchange interaction and symmetry properties of electron orbitals. J. Phys. Chem. Solids 10, 87-98 (1959).
44. Kugel, K., Khomskii, D. Crystal-structure and magnetic properties of substances with orbital degeneracy. Zh. Eksp. Teor. Fiz 64, 1429-1439 (1973).
45. Sage, M. H., Blake, G. R., Nieuwenhuys, G. J., Palstra, T. T. M. Evidence for Electronic Phase Separation between Orbital Orderings in SmVO3. Phys. Rev. Lett. 96, 036401 (2006).
46. Orobengoa, D., Capillas, C., Aroyo, M. I., Perez-Mato, J. M. Amplimodes: symmetry-mode analysis on the bilbao crystallographic server. J. App. Cryst. 42, 820-833 (2009).
47. Perez-Mato, J. M., Orobengoa, D., Aroyo, M. Mode crystallography of distorted structures. Acta Cryst. Section A 66, 558-590 (2010).
48. Glazer, A. The classification of tilted octahedra in perovskites. Acta Cryst. B. 28, 3384-3392 (1972).
49. Goldschmidt, V. M. Die gesetze der krystallochemie. Naturwissenschaften 14, 477-485 (1926).
50. Miao, N., Bristowe, N. C., Xu, B., Verstraete, M. J., Ghosez, Ph. First-principles study of the lattice dynamical properties of strontium ruthenate. J. Phys.: Condens. Matter 26, 035401 (2014).
51. Reehuis, M. et al. Neutron diffraction study of YVO3, NdVO3, and TbVO3. Phys. Rev. B 73, 094440 (2006).
52. Seim, H., Fjellvag, H. Non-stoichiometric LaVO3. i. synthesis and physical properties. Acta Chem. Scand. 52, 1096-1103 (1998).
53. Zhang, Q. et al. Impact of the various spin-and orbital-ordering processes on the multiferroic properties of orthovanadate DyVO3. Phys. Rev. B 90, 024418 (2014).
54. Varignon, J., Bristowe, N. C., Bousquet, E., Ghosez, Ph. Novel magneto-electric multiferroics from first-principles. Comptes Rendus Physique 16, 153-167 (2015).
55. Ghosez, Ph., Triscone, J. M. Multiferroics: Coupling of three lattice instabilities. Nature Materials 10, 269-270 (2011).
56. Saha-Dasgupta, T. Ferroic properties in bi-component perovskites: artificial superlattices and naturally forming compounds. J. Phys. Condens. Matter 26, 193201 (2014).
57. Benedek, N. A., Rondinelli, J. M., Djani, H., Ghosez, Ph. Lightfoot, P. Understanding ferroelectricity in layered perovskites: new ideas and insights from theory and experiments. Dalton Transactions 23, 10543-10558 (2015).
58. Hatch, D. M., Stokes, H. T. Invariants: program for obtaining a list of invariant polynomials of the order-parameter components associated with irreducible representations of a space group. J. App. Cryst. 36, 951-952 (2003).
59. Kresse, G., Haffner, J. Ab initio molecular dynamics for liquid metals. Phys. Rev. B 47, 558 (1993).
60. Kresse, G., Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comp. Mat. Science 6, 15-50 (1996).
61. Anisimov, V. I., Zaanen, J., Andersen, O. K. Band theory and Mott insulators: Hubbard U instead of stoner I. Phys. Rev. B 44, 943 (1991).
62. Liechtenstein, A. I., Anisimov, V. I., Zaanen, J. Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators. Phys. Rev. B 52, R5467 (1995).
63. Fang, Z., Nagaosa, N. Quantum versus jahn-teller orbital physics in YVO3 and LaVO3. Phys. Rev. Lett. 93, 176404 (2004).
64. Stengel, M., Vanderbilt D., Spaldin, N. A. First-principles modeling of ferroelectric capacitors via constrained displacement field calculations. Phys. Rev. B 80, 224110 (2009).