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Using density functional theory and LDA+U method, we investigate magnetic and electronic structure of Y$_{2}$Ir$_{2}$O$_{7}$ and rare-earth based pyrochlore iridates. Our study reveals that the ground state is a non-collinear magnetic…

Materials Science · Physics 2010-03-18 Xiangang Wan , Jinming Dong , Sergey Y. Savrasov

In 5d transition metal oxides such as the iridates, novel properties arise from the interplay of electron correlations and spin-orbit interactions. We investigate the electronic structure of the pyrochlore iridates, (such as…

Strongly Correlated Electrons · Physics 2015-05-19 Xiangang Wan , Ari Turner , Ashvin Vishwanath , Sergey Y. Savrasov

Fully relativistic first-principles electronic structure calculations based on a noncollinear local spin density approximation (LSDA) are performed for pyrochlore iridates Y$_2$Ir$_2$O$_7$ and Pr$_2$Ir$_2$O$_7$. The all-in, all-out…

Strongly Correlated Electrons · Physics 2015-06-22 Fumiyuki Ishii , Yo Pierre Mizuta , Takehiro Kato , Taisuke Ozaki , Hongming Weng , Shigeki Onoda

First principles density functional calculations within the local spin density approximation (LSDA) and the generalized gradient approximation (GGA) are reported for pyrochlore Cd$_2$Os$_2$O$_7$ and Cd$_{2}$Re$_{2}$O$_7$. The transition…

Condensed Matter · Physics 2009-11-07 D. J. Singh , P. Blaha , K. Schwarz , J. O. Sofo

Strong spin-orbit coupling fosters exotic electronic states such as topological insulators and superconductors, but the combination of strong spin-orbit and strong electron-electron interactions is just beginning to be understood. Central…

The synergy of strong spin-orbit coupling and electron-electron interactions gives rise to unconventional topological states, such as topological Mott insulator, Weyl semimetal, and quantum spin liquid. In this study, we have grown single…

Strongly Correlated Electrons · Physics 2024-07-18 Harish Kumar , M. Köpf , P. Telang , N. Bura , A. Jesche , P. Gegenwart , C. A. Kuntscher

We address the concomitant metal-insulator transition (MIT) and antiferromagnetic ordering in the novel pyrochlore iridate Eu2Ir2O7 by combining x-ray absorption spectroscopy, x-ray and neutron diffractions and density functional theory…

We study the prototype 5d pyrochlore iridate Y2Ir2O7 from first principles using the local density approximation and dynamical mean-field theory (LDA+DMFT). We map out the phase diagram in the space of temperature, onsite Coulomb repulsion…

Strongly Correlated Electrons · Physics 2015-10-14 Hiroshi Shinaoka , Shintaro Hoshino , Matthias Troyer , Philipp Werner

Novel phases of two dimensional electron systems resulting from new surface or interface modified electronic structures have generated significant interest in material science. We utilize photoemission spectroscopy to show that the…

The electronic bandstructure and the Fermi surfaces of ferromagnetic CeRh3B2 are calculated by using FLAPW and LSDA+U method. As assuming several kinds of the ground state to describe the 4f electronic state, we propose a fully orbital- and…

Strongly Correlated Electrons · Physics 2015-05-18 Kunihiko Yamauchi , Akira Yanase , Hisatomo Harima

Non-Fermi liquid behavior in some fermionic systems have attracted significant interest in last few decades. Certain pyrochlore iridates with stronger spin-orbit coupling strength have recently been added to the list. Here, we provide…

Strongly Correlated Electrons · Physics 2022-01-03 Md Salman Khan , Ilaria Carlomagno , Carlo Meneghini , P. K. Biswas , Fabrice Bert , Subham Majumdar , Sugata Ray

Electronic properties of the metallic pyrochlore oxide Cd2Re2O7 are studied by means of electrical resistivity and Hall measurements. Semimetallic band structures are revealed as expected from band structure calculations. It is found that…

Strongly Correlated Electrons · Physics 2009-11-07 Z. Hiroi , M. Hanawa , Y. Muraoka , H. Harima

A comprehensive study of the structural properties of the heavily investigated rare-earth A2Ir2O7 series under extreme conditions is presented. The series is covered by studying iridates with A = Pr, Sm, Dy-Lu. Temperature- and…

We perform combined density functional and dynamical mean-field calculations to study the pyrochlore iridates Lu$_2$Ir$_2$O$_7$, Y$_2$Ir$_2$O$_7$ and Eu$_2$Ir$_2$O$_7$. Both single-site and cluster dynamical mean-field calculations are…

Strongly Correlated Electrons · Physics 2017-01-27 Runzhi Wang , Ara Go , Andrew J. Millis

We investigate the electronic structure of BaIrO3, an interesting compound exhibiting charge density wave transition in its insulating phase and ferromagnetic transition at the same temperature, using full potential linearized augmented…

Strongly Correlated Electrons · Physics 2009-11-11 Kalobaran Maiti

The first angle-resolved photoemission spectroscopy results from MgB$_2$ single crystals are reported. Close to the $\Gamma$K and $\Gamma$M directions, three distinct dispersions are observed approaching the Fermi energy, as can be assigned…

Superconductivity · Physics 2016-08-31 H. Uchiyama , K. M. Shen , S. Lee , A. Damascelli , D. H. Lu , D. L. Feng , Z. -X. Shen , S. Tajima

The electronic structure of spinel-type Cu_(1-x)Ni_xRh_2S_4 (x = 0.0, 0.1, 0.3, 0.5, 1.0) and CuRh_2Se_4 compounds has been studied by means of X-ray photoelectron and fluorescent spectroscopy. Cu L_3, Ni L_3, S L_(2,3) and Se M_(2,3) X-ray…

Perovskite SrIrO3 has long been proposed as an exotic semimetal induced by the interplay between the spin-orbit coupling and electron correlations. However, its low-lying electronic structure is still lacking. We synthesize high-quality…

Strongly Correlated Electrons · Physics 2016-08-03 Z. T. Liu , M. Y. Li , Q. F. Li , J. S. Liu , W. Li , H. F. Yang , Q. Yao , C. C. Fan , X. G. Wan , Z. Wang , D. W. Shen

A Weyl semimetallic state with pairs of nondegenerate Dirac cones in three dimensions was recently predicted to occur in the antiferromagnetic state of the pyrochlore iridates. Here, we show that the THz optical conductivity and temperature…

In this paper we report comprehensive experimental and theoretical investigation of magnetic and electronic properties of the intermetallic compounds Pr2Fe17 and Gd2Fe17. For the first time electronic structure of these two systems was…

Strongly Correlated Electrons · Physics 2007-05-23 Yu. V. Knyazev , A. V. Lukoyanov , Yu. I. Kuz'min , A. G. Kuchin , I. A. Nekrasov
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