Calculated Magnetic and Electronic Properties of Pyrochlore Iridates

2010/03/17 by Xiangang Wan, Wan, Xiangang, Jinming Dong +3
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Nuclear materials and radiation effects #Strongly Correlated Electrons (cond-mat.str-el)

paper · pdf · doi:10.48550/arxiv.1003.3414

openalex publication_date 2010/03/17 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Using density functional theory and LDA+U method, we investigate magnetic and electronic structure of Y₂Ir₂O₇ and rare-earth based pyrochlore iridates. Our study reveals that the ground state is a non-collinear magnetic insulating state. Due to strong spin-orbit coupling in Ir 5d, there is an unusual correlation between the bands near Fermi level and the magnetization direction, resulting in a possibility of insulator-to-metal transition under applied magnetic field. This makes pyrochlore iridates a good candidate for possible magnetoressitance and magnetooptical applications.

Related

• Non-local self energies in pyrochlore iridates from ab-initio TRILEX calculations, and their relevance for the Weyl semimetal phase
• Spin dynamics in the pyrochlore iridate, Er2Ir2O7, investigated by muSR spectroscopy
• Experimental Electronic Structure of the Metallic Pyrochlore Iridate Bi2Ir2O7
• Metal-insulator transitions in pyrochlore oxides
• Frustration induced inversion of magnetocaloric effect and enhanced cooling power in substituted Pyrochlore Iridates