journal article·2021-01-08Open access

Electric-field-driven octahedral rotation in perovskite

Wonshik Kyung, Choong H. Kim, Yeong Kwan Kim, Beomyoung Kim, Chul Kim, Woobin Jung, Junyoung Kwon, Minsoo Kim, Aaron Bostwick, Jonathan D. Denlinger, Yoshiyuki Yoshida, Changyoung Kim

npj Quantum Materials· Volume 6· Issue 1

Abstract

Abstract Rotation of MO6 (M = transition metal) octahedra is a key determinant of the physical properties of perovskite materials. Therefore, tuning physical properties, one of the most important goals in condensed matter research, may be accomplished by controlling octahedral rotation (OR). In this study, it is demonstrated that OR can be driven by an electric field in Sr2RuO4. Rotated octahedra in the surface layer of Sr2RuO4 are restored to the unrotated bulk structure upon dosing the surface with K. Theoretical investigation shows that OR in Sr2RuO4 originates from the surface electric field, which can be tuned via the screening effect of the overlaid K layer. This work establishes not only that variation in the OR angle can be induced by an electric field, but also provides a way to control OR, which is an important step toward in situ control of the physical properties of perovskite oxides.
Source: crossref · Quality: baseline

Research context

OpenAlex topics: Electronic and Structural Properties of Oxides · Ferroelectric and Piezoelectric Materials · Advanced Condensed Matter Physics

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (39)

Show source-provided references
1. Rao, C. N. R. Transition metal oxides. Annu. Rev. Phys. Chem. 40, 291–326 (1989).10.1146/annurev.pc.40.100189.001451 ↗
2. Balachandran, P. V. & Rondinelli, J. M. Interplay of octahedral rotations and breathing distortions in charge-ordering perovskite oxides. Phys. Rev. B 88, 054101 (2013).10.1103/PhysRevB.88.054101 ↗
3. Nie, Y. F. et al. Interplay of spin-orbit interactions, dimensionality, and octahedral rotations in semimetallic SrIrO3. Phys. Rev. Lett. 114, 016401 (2015).10.1103/PhysRevLett.114.016401 ↗
4. Kim, B. J. et al. Missing xy-band Fermi surface in 4d transition-metal oxide Sr2RhO4: effect of the octahedra rotation on the electronic structure. Phys. Rev. Lett. 97, 106401 (2006).10.1103/PhysRevLett.97.106401 ↗
5. Ko, E., Kim, B. J., Kim, C. & Choi, H. J. Strong orbital-dependent d-band hybridization and Fermi-surface reconstruction in metallic Ca2−xSrxRuO4. Phys. Rev. Lett. 98, 226401 (2007).10.1103/PhysRevLett.98.226401 ↗
6. Dzyaloshinsky, I. A thermodynamic theory of “weak” ferromagnetism of antiferromagnetics. J. Phys. Chem. Solids 4, 241–255 (1958).10.1016/0022-3697(58)90076-3 ↗
7. Lu, W. et al. Control of oxygen octahedral rotations and physical properties in SrRuO3 films. Phys. Rev. B 88, 214115 (2013).10.1103/PhysRevB.88.214115 ↗
8. May, S. J. et al. Control of octahedral rotations in (LaNiO3)n/(SrMnO3)m superlattices. Phys. Rev. B 83, 153411 (2011).10.1103/PhysRevB.83.153411 ↗
9. Gao, R. et al. Interfacial octahedral rotation mismatch control of the symmetry and properties of SrRuO3. ACS Appl. Mater. Interfaces 8, 14871–14878 (2016).10.1021/acsami.6b02864 ↗
10. Megaw, H. D. A simple theory of the off-centre displacement of cations in octahedral environments. Acta Crystallogr. B B24, 149–153 (1968).10.1107/S0567740868001834 ↗
11. Brown, I. D. Chemical and steric constraints in inorganic solids. Acta Crystallogr. B B48, 553–572 (1992).10.1107/S0108768192002453 ↗
12. Cheng, S. L., Du, C. H., Chuang, T. H. & Lin, J. G. Atomic replacement effects on the band structure of doped perovskite thin films. Sci. Rep. 9, 7828 (2019).10.1038/s41598-019-44104-7 ↗
13. Steppke, A. et al. Strong peak in Tc of Sr2RuO4 under uniaxial pressure. Science 355, eaaf9398 (2017).10.1126/science.aaf9398 ↗
14. Matzdorf, R. et al. Ferromagnetism stabilized by lattice distortion at the surface of the p-wave superconductor Sr2RuO4. Science 289, 746–748 (2000).10.1126/science.289.5480.746 ↗
15. Damascelli, A. et al. Fermi surface, surface states, and surface reconstruction in Sr2RuO4. Phys. Rev. Lett. 85, 5194 (2000).10.1103/PhysRevLett.85.5194 ↗
16. Veenstra, C. N. et al. Determining the surface-to-bulk progression in the normal-state electronic structure of Sr2RuO4 by angle-resolved photoemission and density functional theory. Phys. Rev. Lett. 110, 097004 (2013).10.1103/PhysRevLett.110.097004 ↗
17. Ishikawa, K. & Uemori, T. Surface relaxation in ferroelectric perovskites. Phys. Rev. B 60, 11841 (1999).10.1103/PhysRevB.60.11841 ↗
18. Barnes, S. E., Ieda, J. & Maekawa, S. Rashba spin-orbit anisotropy and the electric field control of magnetism. Sci. Rep. 4, 4105 (2014).10.1038/srep04105 ↗
19. Zabolotnyy, V. B. et al. Surface and bulk electronic structure of the unconventional superconductor Sr2RuO4: unusual splitting of the β band. N. J. Phys. 14, 063039 (2012).10.1088/1367-2630/14/6/063039 ↗
20. Hu, B. et al. Surface and bulk structural properties of single-crystalline Sr3Ru2O7. Phys. Rev. B 81, 184104 (2010).10.1103/PhysRevB.81.184104 ↗
21. Li, G. et al. Atomic-scale fingerprint of Mn dopant at the surface of Sr3(Ru1−xMnx)2O7. Sci. Rep. 3, 2882 (2013).10.1038/srep02882 ↗
22. Veenstra, C. N. et al. Spin-orbital entanglement and the breakdown of singlets and triplets in Sr2RuO4 revealed by spin- and angle-resolved photoemission spectroscopy. Phys. Rev. Lett. 112, 127002 (2014).10.1103/PhysRevLett.112.127002 ↗
23. Kim, J. et al. Observation of tunable band gap and anisotropic Dirac semimetal state in black phosphorus. Science 349, 723–726 (2015).10.1126/science.aaa6486 ↗
24. Benedek, N. A. & Fennie, C. J. Why are there so few perovskite ferroelectrics? J. Phys. Chem. C 117, 13339–13349 (2013).10.1021/jp402046t ↗
25. Reyren, N. et al. Superconducting interfaces between insulating oxides. Science 317, 1196–1199 (2007).10.1126/science.1146006 ↗
26. Aird, A. & Salje, E. K. H. Sheet superconductivity in twin walls: experimental evidence of WO3-x. J. Phys. Condens. Matter 10, L377–L380 (1998).10.1088/0953-8984/10/22/003 ↗
27. Meyers, D. et al. Pure electronic metal-insulator transition at the interface of complex oxides. Sci. Rep. 6, 27934 (2016).10.1038/srep27934 ↗
28. Heron, J. T. et al. Electric-field-induced magnetization reversal in a ferromagnet-multiferroic heterostructure. Phys. Rev. Lett. 107, 217202 (2011).10.1103/PhysRevLett.107.217202 ↗
29. Benedek, N. A. & Fennie, C. J. Hybrid improper ferroelectricity: a mechanism for controllable polarization-magnetization coupling. Phys. Rev. Lett. 106, 107204 (2011).10.1103/PhysRevLett.106.107204 ↗
30. Oh, Y. S. et al. Experimental demonstration of hybrid improper ferroelectricity and the presence of abundant charged walls in (Ca,Sr)3Ti2O7 crystals. Nat. Mater. 14, 407–413 (2015).10.1038/nmat4168 ↗
31. Benedek, N. A., Mulder, A. T. & Fennie, C. J. Polar octahedral rotations: a path to new multifunctional materials. J. Solid State Chem. 195, 11–20 (2012).10.1016/j.jssc.2012.04.012 ↗
32. Liu, X. Q. et al. Hybrid improper ferroelectricity and possible ferroelectric switching paths in Sr3Hf2O7. J. Appl. Phys. 125, 114105 (2019).10.1063/1.5086367 ↗
33. Nakatsuji, S. et al. Heavy-mass Fermi liquid near a ferromagnetic instability in layered ruthenates. Phys. Rev. Lett. 90, 137202 (2003).10.1103/PhysRevLett.90.137202 ↗
34. Carlo, J. P. et al. New magnetic phase diagram of (Sr,Ca)2RuO4. Nat. Mater. 11, 323–328 (2012).10.1038/nmat3236 ↗
35. Gorelov, E. et al. Nature of the Mott Transition in Ca2RuO4. Phys. Rev. Lett. 104, 226401 (2010).10.1103/PhysRevLett.104.226401 ↗
36. Noh, H.-J. et al. Electronic structure and evolution of the orbital state in metallic Ca2−xSrxRuO4. Phys. Rev. B 72, 052411 (2005).10.1103/PhysRevB.72.052411 ↗
37. Neupane, M. et al. Observation of a novel orbital selective Mott transition in Ca1.8Sr0.2RuO4. Phys. Rev. Lett. 103, 097001 (2009).10.1103/PhysRevLett.103.097001 ↗
38. Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169 (1996).10.1103/PhysRevB.54.11169 ↗
39. Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758 (1999).10.1103/PhysRevB.59.1758 ↗