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Register a new userExploration of Trivial and Non-trivial electronic phases, and Collinear and Non-collinear Magnetic phases in low-spin d$^5$ perovskites
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Added by
Birabar Ranjit Nanda
Publication date
2021
fields
Physics
and research's language is
English
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The $4d$ and $5d$ transition metal oxides have become important members of the emerging quantum materials family due to competition between onsite Coulomb repulsion ($U$) and spin-orbit coupling (SOC). Specifically, the systems with $d^5$ electronic configuration in an octahedral environment are found to be capable of posessing invariant semimetallic state and perturbations can lead to diverse magnetic phases. In this work, by formulating a multi-band Hubbard model and performing SOC tunable DFT+$U$ calculations on a prototype SrIrO$_3$ and extending the analysis to other iso-structural and isovalent compounds, we present eight possible electronic and magnetic configurations in the $U$-SOC phase diagram that can be observed in the family of low-spin $d^5$ perovskites. They include the protected Dirac semimetal state, metal and insulator regimes, collinear and noncollinear spin ordering. The latter is explained through connecting hopping interactions to the rotation and tilting of the octahedra as observed in GdFeO$_3$. Presence of several soft phase boundaries makes the family of $d^5$ perovskites an ideal platform to study electronic and magnetic phase transitions under external stimuli.
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Complex oxides with $4d$ and $5d$ transition-metal ions recently emerged as a new paradigm in correlated electron physics, due to the interplay between spin-orbit coupling and electron interactions. For $4d$ and $5d$ ions, the spin-orbit coupling, $zeta$, can be as large as 0.2-0.4 eV, which is comparable with and often exceeds other relevant parameters such as Hunds coupling $J_{rm H}$, noncubic crystal field splitting $Delta$, and the electron hopping amplitude $t$. This gives rise to a variety of spin-orbit-entangled degrees of freedom and, crucially, non-trivial interactions between them that depend on the $d$-electron configuration, the chemical bonding, and the lattice geometry. Exotic electronic phases often emerge, including spin-orbit assisted Mott insulators, quantum spin liquids, excitonic magnetism, multipolar orderings and correlated topological semimetals. This paper provides a selective overview of some of the most interesting spin-orbit-entangled phases that arise in $4d$ and $5d$ transition-metal compounds.
Symmetry-protected trivial (SPt) phases of matter are the product-state analogue of symmetry-protected topological (SPT) phases. This means, SPt phases can be adiabatically connected to a product state by some path that preserves the protecting symmetry. Moreover, SPt and SPT phases can be adiabatically connected to each other when interaction terms that break the symmetries protecting the SPT order are added in the Hamiltonian. It is also known that spin-1 SPT phases in quantum spin chains can emerge as effective intermediate phases of spin-2 Hamiltonians. In this paper we show that a similar scenario is also valid for SPt phases. More precisely, we show that for a given spin-2 quantum chain, effective intermediate spin-1 SPt phases emerge in some regions of the phase diagram, these also being adiabatically connected to non-trivial intermediate SPT phases. We characterize the phase diagram of our model by studying quantities such as the entanglement entropy, symmetry-related order parameters, and 1-site fidelities. Our numerical analysis uses Matrix Product States (MPS) and the infinite Time-Evolving Block Decimation (iTEBD) method to approximate ground states of the system in the thermodynamic limit. Moreover, we provide a field theory description of the possible quantum phase transitions between the SPt phases. Together with the numerical results, such a description shows that the transitions may be described by Conformal Field Theories (CFT) with central charge c=1. Our results are in agreement, and further generalize, those in [Y. Fuji, F. Pollmann, M. Oshikawa, Phys. Rev. Lett. 114, 177204 (2015)].
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