Electronic Correlation-driven Exotic Quantum Phase Transitions in Infinite-layer Manganese Oxide
arXiv:2304.11777 · doi:10.1103/PhysRevB.108.054106
Abstract
Despite the intensive interest in copper- and nickel-based superconductivity in infinite-layer structures, the physical properties of many other infinite-layer transition-metal oxides remain largely unknown. Here we unveil, by the first-principles calculations, the electronic correlation-driven quantum phase transitions in infinite-layer SrMnO2, where spin and charge orders are strongly interwoven. At weak electronic correlation region, SrMnO2 is a ferromagnetic metal with anisotropic spin transportation, as a promising spin valve under room-temperature. At middle electronic correlation region, a structural transition accompanied by charge/bond disproportion occurs as a consequence of Fermi surface nesting, resulting in a ferromagnetic insulator with reduced Curie temperature. At strong electronic correlation region, another structural transition occurs that drives the system into degenerately antiferromagnetic insulators with tunable magnetic order by piezoelectricity, a new type of multiferroics. Therefore, infinite-layer SrMnO2 is possibly a unique system on the quantum critical point, where electronic correlation can induce noticeable Fermi surface evolutions and small perturbations can realize remarkable quantum phase transitions.
arXiv comment10 pages, 4 figures
References in corpus (21)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Fermi surface nesting and the origin of Charge Density Waves in metals
- Interface engineering of quantum Hall effects in digital transition metal oxide heterostructures
- Mott transition and suppression of orbital fluctuations in orthorhombic 3 perovskites
- FermiSurfer: Fermi-surface viewer providing multiple representation schemes
- Hubbard parameters from density-functional perturbation theory
- Electronic structure of the parent compound of superconducting infinite-layer nickelates
- Unfolding spinor wavefunctions and expectation values of general operators: Introducing the unfolding-density operator
- Epitaxial-strain-induced multiferroicity in SrMnO from first principles
- Hubbard U and Hund's Exchange J in Transition Metal Oxides: Screening vs. Localization Trends from Constrained Random Phase Approximation
- Quantum phases driven by strong correlations
- Self-consistent Hubbard parameters from density-functional perturbation theory in the ultrasoft and projector-augmented wave formulations
- Similarities and differences between infinite-layer nickelates and cuprates and implications for superconductivity
- Oxide spin-orbitronics: spin-charge interconversion and topological spin textures
- Origin of the Structural and Magnetic Anomaly of the Layered Compound SrFeO2: A Density Functional Investigation
- Electronic Structure Trends Across the Rare-Earth Series in Superconducting Infinite Layer Nickelates
- Effective Onsite Interaction for Dynamical Mean-Field Theory
- Self-consistent site-dependent DFT+ study of stoichiometric and defective SrMnO
- Atomic layer engineering of perovskite oxides for chemically sharp heterointerfaces
- Electronic structure of superconducting nickelates probed by resonant photoemission spectroscopy
- First-Principles-Based Strain and Temperature Dependent Ferroic Phase Diagram of SrMnO