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We investigate the interplay between charge, magnetic, and structural degrees of freedom in the isostructural and isoelectronic $5d^1$ double-perovskites Ba$_2$MgReO$_6$ and Ba$_2$NaOsO$_6$. Using first-principles-based electronic structure…

材料科学 · 物理学 2026-02-27 Francesco Martinelli , Claude Ederer

We investigate the interplay of spin-orbit coupling, electronic correlations, and lattice distortions in the $5d^1$ double perovskite Ba$_2$MgReO$_6$. Combining density-functional theory (DFT) and dynamical mean-field theory (DMFT), we…

强关联电子 · 物理学 2023-12-18 Maximilian E. Merkel , Aria Mansouri Tehrani , Claude Ederer

We measured the electrical resistivity, AC magnetic susceptibility, and specific heat of the cubic double perovskite Ba$_2$MgReO$_6$ under pressure. The application of pressure leads to a gradual increase in the transition temperature to…

强关联电子 · 物理学 2021-12-08 Hiroto Arima , Yoshiaki Oshita , Daigorou Hirai , Zenji Hiroi , Kazuyuki Matsubayashi

Double perovskites containing heavy transition metal ions are an important family of compounds for the study of the interplay between electron correlation and spin-orbit coupling. Here, by combining magnetic susceptibility, heat capacity,…

Structural and magnetic transitions in a double perovskite hosting 5d1 Re ions are discussed on the basis of recently published high-resolution x-ray diffraction patterns [D. Hirai, et al., Phys. Rev. Res. 2, 022063(R) (2020)]. A reported…

强关联电子 · 物理学 2021-06-30 S. W. Lovesey , D. D. Khalyavin

The synthesis and physical properties of the double perovskite (DP) compound Ba2CdReO6 with the 5d1 electronic configuration are reported. Three successive phases originating from a spin-orbit-entangled Jeff = 3/2 state, confirmed by the…

强关联电子 · 物理学 2021-04-06 Daigorou Hirai , Zenji Hiroi

In electronic solids with strong spin-orbit interactions (SOIs), the spin and orbital degrees of freedom of an electron are quantum mechanically entangled, which may result in an exotic multipolar order instead of a conventional dipolar…

强关联电子 · 物理学 2020-07-01 Daigorou Hirai , Hajime Sagayama , Shang Gao , Hiroyuki Ohsumi , Gang Chen , Taka-hisa Arima , Zenji Hiroi

Double perovskite compounds containing 5d transition metal elements have been extensively studied as platforms for multipolar order phenomena stemming from spin-orbit-entangled 5d electrons. In this study, we examine the interplay between…

强关联电子 · 物理学 2025-04-02 Koki Shibuya , Daigorou Hirai , Koshi Takenaka

We examine the role of charge, structural, and spin degrees of freedom in the previously poorly understood phase transition in the 5$d^1$ transition-metal double perovskite Cs$_2$TaCl$_6$, using a combination of computational and…

Magnetic structures and the relationship between spin and charge-orbital orderings of an A-site ordered double-perovskite manganite SmBaMn2O6, an anticipated multiferroic material, were investigated by means of neutron diffraction. The spin…

We report on the cubic double perovskite Ba2MgReO6 containing Re6+ ions with the 5d1 electron configuration. Resistivity, magnetization, and heat capacity measurements using single crystals show that the compound is a Mott insulator with a…

强关联电子 · 物理学 2019-06-11 Daigorou Hirai , Zenji Hiroi

Localized $5d^2$ electrons in a cubic crystal field possess multipoles such as electric quadrupoles and magnetic octupoles. We studied the cubic double perovskite Ba$_2$CaOsO$_6$ containing the Os$^{6+}$ ($5d^2$) ions, which exhibits a…

The double-perovskite A$_2$BB'O$_6$ with heavy transition metal ions on the ordered B' sites is an important family of compounds to study the interplay between electron correlation and spin-orbit coupling (SOC). Here we prepared…

强关联电子 · 物理学 2020-07-01 Shang Gao , Daigorou Hirai , Hajime Sagayama , Hiroyuki Ohsumi , Zenji Hiroi , Taka-hisa Arima

In a cubic environment, the ground state of spin-orbit coupled $5d^2$ ions is a non-Kramers $E_g$ doublet, which hosts quadrupole and octupole moments. A series of $5d^2$ osmium double perovskites Ba$_2M$OsO$_6$ (M = Mg, Ca, Zn, Cd) have…

强关联电子 · 物理学 2023-08-14 Ahmed Rayyan , Xiaoyu Liu , Hae-Young Kee

Double-perovskite oxides that contain both 3d and 5d transition metal elements have attracted growing interest as they provide a model system to study the interplay of strong electron interaction and large spin-orbit coupling (SOC). Here,…

Results are presented of single crystal structural, thermodynamic, and reflectivity measurements of the double-perovskite Ba2NaOsO6. These characterize the material as a 5d^1 ferromagnetic Mott insulator with an ordered moment of ~0.2 Bohr…

强关联电子 · 物理学 2009-11-11 A. S. Erickson , S. Misra , G. J. Miller , R. R. Gupta , Z. Schlesinger , W. A. Harrison , J. M. Kim , I. R. Fisher

The origin of the "hidden" quadrupolar and unconventional magnetic low-temperature orders observed in the spin-orbit double perovskite Ba$_2$MgReO$_6$ defies explanation through standard experimental and theoretical techniques. Here we…

强关联电子 · 物理学 2024-11-07 Dario Fiore Mosca , Cesare Franchini , Leonid V. Pourovskii

A new series of cubic double perovskites Ba$_2R_{2/3}$TeO$_6$ ($R$ = Y, La, Pr, Nd, Sm-Lu) was synthesized via solid state reaction. The $R^{3+}$ and Te$^{6+}$ ions are ordered on alternating octahedral sites, with the rare earth sites 2/3…

材料科学 · 物理学 2019-03-14 Tai Kong , Robert J. Cava

Re-based double perovskites (DPs) exhibit a complex interplay of structural and metal-insulator transitions. Here we systematically study the ground state electronic and structural properties for a family of Re-based DPs $A_2B$ReO$_6$…

强关联电子 · 物理学 2018-01-10 Alex Taekyung Lee , Chris A. Marianetti

Clarifying the underlying mechanisms that govern ordering transitions in condensed matter systems is crucial for comprehending emergent properties and phenomena. While transitions are often classified as electronically driven or…

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