Designing and controlling the properties of transition metal oxide quantum materials.
Journal
Nature materials
ISSN: 1476-4660
Titre abrégé: Nat Mater
Pays: England
ID NLM: 101155473
Informations de publication
Date de publication:
11 2021
11 2021
Historique:
received:
08
07
2020
accepted:
17
03
2021
pubmed:
5
5
2021
medline:
17
3
2022
entrez:
4
5
2021
Statut:
ppublish
Résumé
This Perspective addresses the design, creation, characterization and control of synthetic quantum materials with strong electronic correlations. We show how emerging synergies between theoretical/computational approaches and materials design/experimental probes are driving recent advances in the discovery, understanding and control of new electronic behaviour in materials systems with interesting and potentially technologically important properties. The focus here is on transition metal oxides, where electronic correlations lead to a myriad of functional properties including superconductivity, magnetism, Mott transitions, multiferroicity and emergent behaviour at picoscale-designed interfaces. Current opportunities and challenges are also addressed, including possible new discoveries of non-equilibrium phenomena and optical control of correlated quantum phases of transition metal oxides.
Identifiants
pubmed: 33941911
doi: 10.1038/s41563-021-00989-2
pii: 10.1038/s41563-021-00989-2
doi:
Substances chimiques
Oxides
0
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.
Review
Langues
eng
Sous-ensembles de citation
IM
Pagination
1462-1468Informations de copyright
© 2021. Springer Nature Limited.
Références
Choi, W. S. et al. Atomic layer engineering of perovskite oxides for chemically sharp heterointerfaces. Adv. Mater. 24, 6423–6428 (2012).
doi: 10.1002/adma.201202691
Lei, Q. et al. Constructing oxide interfaces and heterostructures by atomic layer-by-layer laser molecular beam epitaxy. npj Quantum Mater. 2, 10 (2017).
Muller, D. A. Structure and bonding at the atomic scale by scanning transmission electron microscopy. Nat. Mater. 8, 263–270 (2009).
doi: 10.1038/nmat2380
Disa, A. S., Frederick, J. W. & Charles, H. A. High‐resolution crystal truncation rod scattering: application to ultrathin layers and buried interfaces. Adv. Mater. Interfaces 7, 1901772 (2020).
doi: 10.1002/admi.201901772
Ament, L. J. P., van Veenendaal, M., Devereaux, T. P., Hill, J. P. & van den Brink, J. Resonant inelastic x-ray scattering studies of elementary excitations. Rev. Mod. Phys. 83, 705 (2011).
doi: 10.1103/RevModPhys.83.705
Kukreja, R. et al. Orbital domain dynamics in magnetite below the Verwey transition. Phys. Rev. Lett. 121, 177601 (2018).
Damascelli, A., Hussain, Z. & Shen, Z.-X. Angle-resolved photoemission studies of the cuprate superconductors. Rev. Mod. Phys. 75, 473–541 (2003).
doi: 10.1103/RevModPhys.75.473
Huang, B.-C. et al. Mapping band alignment across complex oxide heterointerfaces. Phys. Rev. Lett. 109, 246807 (2012).
Dean, M. P. M. et al. Ultrafast energy- and momentum-resolved dynamics of magnetic correlations in the photo-doped Mott insulator Sr
Zhong, W., Vanderbilt, D. & Rabe, K. M. First-principles theory of ferroelectric phase transitions for perovskites: the case of BaTiO
Georges, A., Kotliar, G., Krauth, W. & Rozenberg, M. J. Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions. Rev. Mod. Phys. 68, 13–125 (1996).
doi: 10.1103/RevModPhys.68.13
Kotliar, G. et al. Electronic structure calculations with dynamical mean-field theory. Rev. Mod. Phys. 78, 865–951 (2006).
doi: 10.1103/RevModPhys.78.865
Neaton, J. B. & Rabe, K. M. Theory of polarization enhancement in epitaxial BaTiO
doi: 10.1063/1.1559651
Lee, J. H. et al. A strong ferroelectric ferromagnet created by means of spin–lattice coupling. Nature 466, 954–958 (2010).
doi: 10.1038/nature09331
Drozdov, A. P., Eremets, M. I., Troyan, I. A., Ksenofontov, V. & Shylin, S. I. Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system. Nature 525, 73–76 (2015).
doi: 10.1038/nature14964
Onida, G., Reining, L. & Rubio, A. Electronic excitations: density-functional versus many-body Green’s-function approaches. Rev. Mod. Phys. 74, 601–659 (2002).
doi: 10.1103/RevModPhys.74.601
Varignon, J., Bibes, M. & Zunger, A. Origin of band gaps in 3d perovskite oxides. Nat. Commun. 10, 1658 (2019).
Imada, M., Fujimori, A. & Tokura, Y. Metal–insulator transitions. Rev. Mod. Phys. 70, 1039–1263 (1998).
doi: 10.1103/RevModPhys.70.1039
Stewart, G. R. Heavy-fermion systems. Rev. Mod. Phys. 56, 755–787 (1984).
doi: 10.1103/RevModPhys.56.755
Biermann, S., Aryasetiawan, F. & Georges, A. First-principles approach to the electronic structure of strongly correlated systems: combining the GW approximation and dynamical mean-field theory. Phys. Rev. Lett. 90, 086402 (2003).
Sun, P. & Kotliar, G. Extended dynamical mean-field theory and GW method. Phys. Rev. B 66, 085120 (2002).
Rusakov, A. A., Iskakov, S., Tran, L. N. & Zgid, D. Self-energy embedding theory (SEET) for periodic systems. J. Chem. Theory Comput. 15, 229–240 (2018).
doi: 10.1021/acs.jctc.8b00927
Knizia, G. & Chan, G. K.-L. Density matrix embedding: a simple alternative to dynamical mean-field theory. Phys. Rev. Lett. 109, 186404 (2012).
Zhu, T., Cui, Z.-H. & Chan, G. K.-L. Efficient formulation of ab initio quantum embedding in periodic systems: dynamical mean-field theory. J. Chem. Theory Comput. 16, 141–153 (2019).
doi: 10.1021/acs.jctc.9b00934
Nilsson, F., Boehnke, Werner, L. P. & Aryasetiawan, F. Multitier self-consistent GW + EDMFT. Phys. Rev. Mater. 1, 043803 (2017).
Choi, S., Semon, P., Kang, B., Kutepov, A. & Kotliar., G. ComDMFT: a massively parallel computer package for the electronic structure of correlated-electron systems. Comput. Phys. Commun. 244, 277–294 (2019).
doi: 10.1016/j.cpc.2019.07.003
Foulkes, W. M. C., Mitas, L., Needs, R. J. & Rajagopal, G. Quantum Monte Carlo simulations of solids. Rev. Mod. Phys. 73, 33–83 (2001).
doi: 10.1103/RevModPhys.73.33
Schollwöck, U. The density-matrix renormalization group. Rev. Mod. Phys. 77, 259–315 (2005).
doi: 10.1103/RevModPhys.77.259
Mcclain, J., Sun, Q., Chan, G. K.-L. & Berkelbach, T. C. Gaussian-based coupled-cluster theory for the ground-state and band structure of solids. J. Chem. Theory Comput. 13, 1209–1218 (2017).
doi: 10.1021/acs.jctc.7b00049
Booth, G. H., Thom, A. J. W. & Alavi, A. Fermion Monte Carlo without fixed nodes: a game of life, death, and annihilation in Slater determinant space. J. Chem. Phys. 131, 054106 (2009).
doi: 10.1063/1.3193710
Medarde, M. L. Structural, magnetic and electronic properties of RNiO
doi: 10.1088/0953-8984/9/8/003
Post, K. W. et al. Coexisting first- and second-order electronic phase transitions in a correlated oxide. Nat. Phys. 14, 1056–1061 (2018).
doi: 10.1038/s41567-018-0201-1
Mattoni, G. et al. Striped nanoscale phase separation at the metal–insulator transition of heteroepitaxial nickelates. Nat. Commun. 7, 13141 (2016).
Mizokawa, T., Khomskii, D. I. & Sawatzky, G. A. Spin and charge ordering in self-doped Mott insulators. Phys. Rev. B 61, 11263–11266 (2000).
doi: 10.1103/PhysRevB.61.11263
Mazin, I. I. et al. Charge ordering as alternative to Jahn–Teller distortion. Phys. Rev. Lett. 98, 176406 (2007).
Park, H., Millis, A. J. & Marianetti, C. A. Site-selective Mott transition in rare-earth-element nickelates. Phys. Rev. Lett. 109, 156402 (2012).
Seth, P. et al. Renormalization of effective interactions in a negative charge transfer insulator. Phys. Rev. B 96, 205139 (2017).
Peil, O. E., Hampel, A., Ederer, C. & Georges, A. Mechanism and control parameters of the coupled structural and metal–insulator transition in nickelates. Phys. Rev. B 99, 245127 (2019).
Middey, S. et al. Physics of ultrathin films and heterostructures of rare-earth nickelates. Annu. Rev. Mater. Res. 46, 305–334 (2016).
doi: 10.1146/annurev-matsci-070115-032057
Mackenzie, A. P., Scaffidi, T., Hicks, C. W. & Maeno, Y. Even odder after twenty-three years: the superconducting order parameter puzzle of Sr
Nakatsuji, S. et al. Heavy-mass Fermi liquid near a ferromagnetic instability in layered ruthenates. Phys. Rev. Lett. 90, 137202 (2003).
Fradkin, E., Kivelson, S. A., Lawler, M. J., Eisenstein, J. P. & Mackenzie, A. P. Nematic Fermi fluids in condensed matter physics. Annu. Rev. Condens. Matter Phys. 1, 153–178 (2010).
doi: 10.1146/annurev-conmatphys-070909-103925
Lei, S. et al. Observation of quasi-two-dimensional polar domains and ferroelastic switching in a metal, Ca
doi: 10.1021/acs.nanolett.8b00633
Nakamura, F. et al. Electric-field-induced metal maintained by current of the Mott insulator Ca
Dang, H. T., Mravlje, J., Georges, A. & Millis, A. J. Electronic correlations, magnetism, and Hund’s rule coupling in the ruthenium perovskites SrRuO
Han, Q., Dang, H. T. & Millis, A. J. Ferromagnetism and correlation strength in cubic barium ruthenate in comparison to strontium and calcium ruthenate: a dynamical mean-field study. Phys. Rev. B 93, 155103 (2016).
Tamai, A. et al. High-resolution photoemission on Sr
Tyler, A. W., Mackenzie, A. P., Nishizaki, S. & Maeno, Y. High-temperature resistivity of Sr
Bergemann, C., Mackenzie, A. P., Julian, S. R., Forsythe, D. & Ohmichi, E. Quasi-two-dimensional Fermi liquid properties of the unconventional superconductor Sr
doi: 10.1080/00018730310001621737
Mravlje, J. et al. Coherence–incoherence crossover and the mass-renormalization puzzles in Sr
Wang, Y. et al. Global phase diagram of a spin-orbital Kondo impurity model and the suppression of Fermi-liquid scale. Phys. Rev. Lett. 124, 136406 (2020).
Horvat, A., Žitko, R. & Mravlje, J. Spin–orbit coupling in three-orbital Kanamori impurity model and its relevance for transition-metal oxides. Phys. Rev. B 96, 085122 (2017).
Dietl, C. et al. Tailoring the electronic properties of Ca
doi: 10.1063/1.5007680
Han, Q. & Millis, A. Lattice energetics and correlation-driven metal–insulator transitions: the case of Ca
Gorelov, E. et al. Nature of the Mott transition in Ca
Hao, H. et al. Metal–insulator and magnetic phase diagram of Ca
doi: 10.1103/PhysRevB.101.235110
Anisimov, V. I., Bukhvalov, D. & Rice, T. M. Electronic structure of possible nickelate analogs to the cuprates. Phys. Rev. B 59, 7901–7906 (1999).
doi: 10.1103/PhysRevB.59.7901
Chaloupka, J. & Khaliullin, G. Orbital order and possible superconductivity in LaNiO
Benckiser, E. et al. Orbital reflectometry of oxide heterostructures. Nat. Mater. 10, 189–193 (2011).
doi: 10.1038/nmat2958
Kumah, D. P. et al. Tuning the structure of nickelates to achieve two-dimensional electron conduction. Adv. Mater. 26, 1935–1940 (2014).
doi: 10.1002/adma.201304256
Fowlie, J. et al. Conductivity and local structure of LaNiO
doi: 10.1002/adma.201605197
Han, M. J., Wang, X., Marianetti, C. A. & Millis, A. J. Erratum: Dynamical mean-field theory of nickelate superlattices [Phys. Rev. Lett. 107, 206804 (2011)]. Phys. Rev. Lett. 110, 179904 (2013).
Disa, A. S. et al. Orbital engineering in symmetry-breaking polar heterostructures. Phys. Rev. Lett. 114, 026801 (2015).
Li, D. et al. Superconductivity in an infinite-layer nickelate. Nature 572, 624–627 (2019).
doi: 10.1038/s41586-019-1496-5
Först, M. et al. Nonlinear phononics as an ultrafast route to lattice control. Nat. Phys. 7, 854–856 (2011).
doi: 10.1038/nphys2055
Subedi, A., Cavalleri, A. & Georges, A. Theory of nonlinear phononics for coherent light control of solids. Phys. Rev. B 89, 220301(R) (2014).
Rini, M. et al. Control of the electronic phase of a manganite by mode-selective vibrational excitation. Nature 449, 72–74 (2007).
doi: 10.1038/nature06119
Disa, A. S. et al. Polarizing an antiferromagnet by optical engineering of the crystal field. Nat. Phys. 16, 937–941 (2020).
doi: 10.1038/s41567-020-0936-3
Nova, T. F., Disa, A. S., Fechner, M. & Cavalleri, A. Metastable ferroelectricity in optically strained SrTiO
doi: 10.1126/science.aaw4911
Juraschek, D. M., Fechner, M. & Spaldin, N. A. Ultrafast structure switching through nonlinear phononics. Phys. Rev. Lett. 118, 054101 (2017).
Gu, M. & Rondinelli, J. M. Nonlinear phononic control and emergent magnetism in Mott insulating titanates. Phys. Rev. B 98, 024102 (2018).
Fausti, D. et al. Light-induced superconductivity in a stripe-ordered cuprate. Science 331, 189–191 (2011).
doi: 10.1126/science.1197294
Mankowsky, R. et al. Nonlinear lattice dynamics as a basis for enhanced superconductivity in YBa
doi: 10.1038/nature13875
Mitrano, M. et al. Possible light-induced superconductivity in K
doi: 10.1038/nature16522
Buzzi, M. et al. Photo-molecular high temperature superconductivity. Phys. Rev. X 10, 031028 (2020).
Kennes, D. M., Wilner, E. Y., Reichman, D. R. & Millis, A. J. Transient superconductivity from electronic squeezing of optically pumped phonons. Nat. Phys. 13, 479–483 (2017).
doi: 10.1038/nphys4024
Denny, S. J., Clark, S. R., Laplace, Y., Cavalleri, A. & Jaksch, D. Proposed parametric cooling of bilayer cuprate superconductors by terahertz excitation. Phys. Rev. Lett. 114, 137001 (2015).
Michael, M. H. et al. Parametric resonance of Josephson plasma waves: a theory for optically amplified interlayer superconductivity in YBa
Adler, R. et al. Correlated materials design: prospects and challenges. Rep. Prog. Phys. 82, 012504 (2018).
doi: 10.1088/1361-6633/aadca4