Geometric frustration of Jahn-Teller order in the infinite-layer lattice

被引:44
作者
Kim, Woo Jin [1 ,2 ]
Smeaton, Michelle A. [3 ]
Jia, Chunjing [1 ,4 ]
Goodge, Berit H. [5 ,6 ]
Cho, Byeong-Gwan [7 ]
Lee, Kyuho [1 ,8 ]
Osada, Motoki [1 ,9 ]
Jost, Daniel [1 ]
Ievlev, Anton V. [10 ]
Moritz, Brian [1 ]
Kourkoutis, Lena F. [5 ,6 ]
Devereaux, Thomas P. [1 ,9 ]
Hwang, Harold Y. [1 ,2 ]
机构
[1] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA
[2] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA
[3] Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY USA
[4] Univ Florida, Dept Phys, Gainesville, FL USA
[5] Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY USA
[6] Cornell Univ, Kavli Inst Cornell Nanoscale Sci, Ithaca, NY USA
[7] Pohang Accelerator Lab, POSTECH, Pohang, South Korea
[8] Stanford Univ, Dept Phys, Stanford, CA USA
[9] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA USA
[10] Ctr Nanophase Mat Sci, Oak Ridge Natl Lab, Oak Ridge, TN USA
基金
美国国家科学基金会;
关键词
COLOSSAL-MAGNETORESISTANCE; OXIDE; PEROVSKITE; IRON; SUPERCONDUCTIVITY; DISTORTIONS; TRANSITION; STABILITY; CRYSTALS; HYDRIDE;
D O I
10.1038/s41586-022-05681-2
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
The Jahn-Teller effect, in which electronic configurations with energetically degenerate orbitals induce lattice distortions to lift this degeneracy, has a key role in many symmetry-lowering crystal deformations(1). Lattices of Jahn-Teller ions can induce a cooperative distortion, as exemplified by LaMnO3 (refs. (2,3)). Although many examples occur in octahedrally(4) or tetrahedrally(5) coordinated transition metal oxides due to their high orbital degeneracy, this effect has yet to be manifested for square-planar anion coordination, as found in infinite-layer copper(6,7), nickel(8,9), iron(10,11) and manganese oxides12. Here we synthesize single-crystal CaCoO2 thin films by topotactic reduction of the brownmillerite CaCoO2.5 phase. We observe a markedly distorted infinite-layer structure, with angstrom-scale displacements of the cations from their high-symmetry positions. This can be understood to originate from the Jahn-Teller degeneracy of the d(xz) and d(yz) orbitals in the d(7) electronic configuration along with substantial ligand-transition metal mixing. A complex pattern of distortions arises in a 2 root 2 x 2 root 2 x 1 tetragonal supercell, reflecting the competition between an ordered Jahn-Teller effect on the CoO2 sublattice and the geometric frustration of the associated displacements of the Ca sublattice, which are strongly coupled in the absence of apical oxygen. As a result of this competition, the CaCoO2 structure forms an extended two-in-two-out type of Co distortion following "ice rules'(13).
引用
收藏
页码:237 / +
页数:19
相关论文
共 50 条
  • [1] Three-dimensional magnetic ordering in the Rb2CuCl4 layer perovskite -: structural correlations
    Aguado, F
    Rodríguez, F
    Valiente, R
    Señas, A
    Goncharenko, I
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2004, 16 (12) : 1927 - 1938
  • [2] Structure determination of a brownmillerite Ca2Co2O5 thin film by precession electron diffraction
    Boullay, P.
    Dorcet, V.
    Perez, O.
    Grygiel, C.
    Prellier, W.
    Mercey, B.
    Hervieu, M.
    [J]. PHYSICAL REVIEW B, 2009, 79 (18)
  • [3] Ferroelectricity from coupled cooperative Jahn-Teller distortions and octahedral rotations in ordered Ruddlesden-Popper manganates
    Cammarata, Antonio
    Rondinelli, James M.
    [J]. PHYSICAL REVIEW B, 2015, 92 (01)
  • [4] ISODISPLACE:: a web-based tool for exploring structural distortions
    Campbell, Branton J.
    Stokes, Harold T.
    Tanner, David E.
    Hatch, Dorian M.
    [J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2006, 39 : 607 - 614
  • [5] Negative Charge-Transfer Energy in SrCoO2.5 Thin Films: An Interplay between O-2p Hole Density, Charge-Transfer Energy, Charge Disproportionation, and Ferromagnetic Ordering
    Chowdhury, Sourav
    Jana, Anupam
    Kuila, Manik
    Reddy, Varimalla R.
    Choudhary, Ram J.
    Phase, Deodatta M.
    [J]. ACS APPLIED ELECTRONIC MATERIALS, 2020, 2 (12) : 3859 - 3870
  • [6] REDUCED FORMS OF LANIO3 PEROVSKITE .1. EVIDENCE FOR NEW PHASES - LA2NI2O5 AND LANIO2
    CRESPIN, M
    LEVITZ, P
    GATINEAU, L
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1983, 79 : 1181 - 1194
  • [7] Direct imaging of structural changes induced by ionic liquid gating leading to engineered three-dimensional meso-structures
    Cui, Bin
    Werner, Peter
    Ma, Tianping
    Zhong, Xiaoyan
    Wang, Zechao
    Taylor, James Mark
    Zhuang, Yuechen
    Parkin, Stuart S. P.
    [J]. NATURE COMMUNICATIONS, 2018, 9
  • [8] Mn(I) in an Extended Oxide: The Synthesis and Characterization of La1-xCaxMnO2+δ (0.6 ≤ x ≤ 1)
    Dixon, Edward
    Hadermann, Joke
    Ramos, Silvia
    Goodwin, Andrew L.
    Hayward, Michael A.
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2011, 133 (45) : 18397 - 18405
  • [9] Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
    Dudarev, SL
    Botton, GA
    Savrasov, SY
    Humphreys, CJ
    Sutton, AP
    [J]. PHYSICAL REVIEW B, 1998, 57 (03) : 1505 - 1509
  • [10] COOPERATIVE JAHN-TELLER EFFECTS
    GEHRING, GA
    GEHRING, KA
    [J]. REPORTS ON PROGRESS IN PHYSICS, 1975, 38 (01) : 1 - +