skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


Title: Electronic band structure of iridates
In this review, an attempt has been made to compare the electronic structures of various 5d iridates (iridium oxides), with an effort to note the common features and differences. Both experimental studies, especially angle-resolved photoemission spectroscopy (ARPES) results, and first-principles band structure calculations have been discussed. This brings to focus the fact that the electronic structures and magnetic properties of the high- Z 5d transition iridates depend on the intricate interplay of strong electron correlation, strong (relativistic) spin–orbit coupling, lattice distortion, and the dimensionality of the system. For example, in the thin film limit, SrIrO 3 exhibits a metal–insulator transition that corresponds to the dimensionality crossover, with the band structure resembling that of bulk Sr 2 IrO 4 .  more » « less
Award ID(s):
1710461 2044049
PAR ID:
10273238
Author(s) / Creator(s):
; ; ; ; ; ;
Date Published:
Journal Name:
Materials Horizons
ISSN:
2051-6347
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. Abstract 5dtransition metal oxides, such as iridates, have attracted significant interest in condensed matter physics throughout the past decade owing to their fascinating physical properties that arise from intrinsically strong spin-orbit coupling (SOC) and its interplay with other interactions of comparable energy scales. Among the rich family of iridates, iridium dioxide (IrO2), a simple binary compound long known as a promising catalyst for water splitting, has recently been demonstrated to possess novel topological states and exotic transport properties. The strong SOC and the nonsymmorphic symmetry that IrO2possesses introduce symmetry-protected Dirac nodal lines (DNLs) within its band structure as well as a large spin Hall effect in the transport. Here, we review recent advances pertaining to the study of this unique SOC oxide, with an emphasis on the understanding of the topological electronic structures, syntheses of high crystalline quality nanostructures, and experimental measurements of its fundamental transport properties. In particular, the theoretical origin of the presence of the fourfold degenerate DNLs in band structure and its implications in the angle-resolved photoemission spectroscopy measurement and in the spin Hall effect are discussed. We further introduce a variety of synthesis techniques to achieve IrO2nanostructures, such as epitaxial thin films and single crystalline nanowires, with the goal of understanding the roles that each key parameter plays in the growth process. Finally, we review the electrical, spin, and thermal transport studies. The transport properties under variable temperatures and magnetic fields reveal themselves to be uniquely sensitive and modifiable by strain, dimensionality (bulk, thin film, nanowire), quantum confinement, film texture, and disorder. The sensitivity, stemming from the competing energy scales of SOC, disorder, and other interactions, enables the creation of a variety of intriguing quantum states of matter. 
    more » « less
  2. Abstract Unexpected, yet useful functionalities emerge when two or more materials merge coherently. Artificial oxide superlattices realize atomic and crystal structures that are not available in nature, thus providing controllable correlated quantum phenomena. This review focuses on 4d and 5d perovskite oxide superlattices, in which the spin–orbit coupling plays a significant role compared with conventional 3d oxide superlattices. Modulations in crystal structures with octahedral distortion, phonon engineering, electronic structures, spin orderings, and dimensionality control are discussed for 4d oxide superlattices. Atomic and magnetic structures,Jeff= 1/2 pseudospin and charge fluctuations, and the integration of topology and correlation are discussed for 5d oxide superlattices. This review provides insights into how correlated quantum phenomena arise from the deliberate design of superlattice structures that give birth to novel functionalities. 
    more » « less
  3. null (Ed.)
    We present structural, magnetic, and optical properties of hexagonal HoFeO3/Al2O3 thin films deposited by Magnetron Sputtering. The x-ray diffraction patterns of HoFeO3 thin films show the c-planes of a hexagonal structure. The magnetization data display an antiferromagnetic transition temperature, TN∼120 ± 5 K and the magnetization-field hysteresis loops were measured below 100 K, confirming a weak ferromagnetism arising from a spin canting of the Fe3+ moments. The magnetization data also show an anomaly around ∼40 K due to a spin-reorientation transition caused by the Ho3+- Fe3+ interactions. We observed comparable magnetization along the ab plane and c axis although the spin canting of Fe3+ sites has a preferential component along the c axis, suggesting that the Ho3+- Fe3+ interactions dominate in the low temperature magnetic structures of hexagonal-HoFeO3. The observed electronic excitations at ∼2.29, 2.87, 3.82, 4.79, and 6.53 eV have been assigned to the Fe3+ d to d on-site as well as O 2p to Fe 3d, Ho 6s, and 5d charge-transfer excitations, respectively. The room temperature energy band gap of the hexagonal-HoFeO3 thin film was measured to be ∼1.99 ± 0.04 eV. 
    more » « less
  4. Half-Heusler materials are strong candidates for thermoelectric applications due to their high weighted mobilities and power factors, which is known to be correlated to valley degeneracy in the electronic band structure. However, there are over 50 known semiconducting half-Heusler phases, and it is not clear how the chemical composition affects the electronic structure. While all the n-type electronic structures have their conduction band minimum at either the Γ - or X -point, there is more diversity in the p-type electronic structures, and the valence band maximum can be at either the Γ -, L -, or W -point. Here, we use high throughput computation and machine learning to compare the valence bands of known half-Heusler compounds and discover new chemical guidelines for promoting the highly degenerate W -point to the valence band maximum. We do this by constructing an “orbital phase diagram” to cluster the variety of electronic structures expressed by these phases into groups, based on the atomic orbitals that contribute most to their valence bands. Then, with the aid of machine learning, we develop new chemical rules that predict the location of the valence band maximum in each of the phases. These rules can be used to engineer band structures with band convergence and high valley degeneracy. 
    more » « less
  5. Abstract In high-temperature ( T c ) cuprate superconductors, many exotic phenomena are rooted in the enigmatic pseudogap state, which has been interpreted as consisting of preformed Cooper pairs or competing orders or a combination thereof. Observation of pseudogap phenomenologically in electron-doped Sr 2 IrO 4 —the 5d electron counterpart of the cuprates, has spurred intense interest in the strontium iridates as a testbed for exploring the exotic physics of the cuprates. Here, we examine the pseudogap state of electron-doped Sr 2 IrO 4 by angle-resolved photoemission spectroscopy (ARPES) and parallel theoretical modeling. Our analysis demonstrates that the pseudogap state of Sr 2 IrO 4 appears without breaking the particle–hole symmetry or inducing spectral broadening which are telltale signatures of competing orders in the cuprates. We find quasiparticle dispersion and its temperature dependence in the pseudogap state of Sr 2 IrO 4 to point to an electronic order with a zero scattering wave vector and limited correlation length. Particle–hole symmetric preformed Cooper pairs are discussed as a viable mechanism for such an electronic order. The potential roles of incommensurate density waves are also discussed. 
    more » « less