Role of Local Structural Distortions on the Origin of j = 1/2 Pseudo-Spin State in Sodium Iridate

Priyanka Yadav; Sumit Sarkar; Manju Sharma; Deodatta Moreshwar Phase; Ram Janay Choudhary; Rajamani Raghunathan

doi:10.1021/acsaelm.2c01442

journal article·2023-01-24

Role of Local Structural Distortions on the Origin of j = 1/2 Pseudo-Spin State in Sodium Iridate

Priyanka Yadav, Sumit Sarkar, Manju Sharma, Deodatta Moreshwar Phase, Ram Janay Choudhary, Rajamani Raghunathan

ACS Applied Electronic Materials· Volume 5· Issue 1

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Abstract

Na 2 IrO 3 (NIO) is known to be a spin–orbit (SO) driven j = 1/2 pseudo-spin Mott–Hubbard (M–H) insulator. The mixing of j = 1/2 pseudo-spin derived from t 2g orbitals with the e g orbitals has not been probed yet from the viewpoint of local structural distortions. Using a combination of theoretical calculations and X-ray spectroscopy, we show that the energetics in the vicinity of Fermi level ( E F ) is governed by SO interactions, electron correlation, and local octahedral distortions. The j = 3/2 and 1/2 pseudo-spin states have an admixture of both t 2g and e g characters due to a local structural distortion. Reduction of the local octahedral symmetry also enables Ir 5d–O 2p hybridization around the E F resulting in an M–H insulator with enhanced charge-transfer character. The possibility of the Slater insulator phase is also ruled out by a combination of the absence of room-temperature density of states in valence band spectra, calculated moments, and temperature-dependent magnetization measurements.

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Research context

OpenAlex topics: Advanced Condensed Matter Physics · Magnetic and transport properties of perovskites and related materials · Multiferroics and related materials

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

UGC-DAE Consortium for Scientific Research, DAVV Campus, Khandwa Road, Indore452001, Madhya Pradesh, India

School of Chemistry, University of Hyderabad, Prof. C.R. Rao Road, Gachibowli, Hyderabad500046, Telangana, India

Funding

Science and Engineering Research Board

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