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Rare-earth nickelates RNiO3 (R=rare-earth element) exhibit three kinds of phase transitions with decreasing temperature: a structural transition from a pseudo-cubic to a monoclinic phase, a metal- insulator transition (MIT), and a magnetic…

Rare-earth nickelates exhibit a remarkable metal-insulator transition accompanied by a structural transition associated with a lattice `breathing' mode. Using model considerations and first-principles calculations, we present a theory of…

强关联电子 · 物理学 2019-06-19 Oleg E. Peil , Alexander Hampel , Claude Ederer , Antoine Georges

The metal-insulator transitions and the intriguing physical properties of rare-earth perovskite nickelates have attracted considerable attention in recent years. Nonetheless, a complete understanding of these materials remains elusive.…

Rare-earth nickelates exhibit a metal-insulator transition accompanied by a structural distortion that breaks the symmetry between formerly equivalent Ni sites. The quantitative theoretical description of this coupled electronic-structural…

强关联电子 · 物理学 2019-02-07 Alexander Hampel , Peitao Liu , Cesare Franchini , Claude Ederer

A combination of density functional and dynamical mean field theory calculations are used to show that the remarkable metal-insulator transition in the rare earth nickelate perovskites arise from a site-selective Mott phase, in which the…

强关联电子 · 物理学 2013-08-29 Hyowon Park , Andrew J. Millis , Chris A. Marianetti

Rare earth perovskites ($R^{3+}$M$^{3+}$O$_3$), with $e_g^1$ electronic occupation of the M $d$ states, display different types of metal-insulator transition. For manganites (M=Mn), metal-insulator transition is usually induced by the…

强关联电子 · 物理学 2025-04-04 Subhadeep Bandyopadhyay , Philippe Ghosez

We study a model for the metal-insulator (MI) transition in the rare-earth nickelates RNiO$_3$, based upon a negative charge transfer energy and coupling to a rock-salt like lattice distortion of the NiO$_6$ octahedra. Using exact…

强关联电子 · 物理学 2014-03-12 Steve Johnston , Anamitra Mukherjee , Ilya Elfimov , Mona Berciu , George A. Sawatzky

The material class of rare earth nickelates with high Ni$^{3+}$ oxidation state is generating continued interest due to the occurrence of a metal-insulator transition with charge order and the appearance of non-collinear magnetic phases…

Controlled introduction of oxygen vacancies offers an effective route to induce metal-to-insulator transition in strongly correlated rare-earth nickelates ($R$NiO$_3$) at room temperature. However, the role played by the rare-earth cations…

材料科学 · 物理学 2024-12-30 Devang Bhagat , Ranga Teja Pidathala , Badri Narayanan

The metal-insulator transition (MIT) in rare-earth nickelates exemplifies the intricate interplay between electronic correlations and lattice dynamics in quantum materials. This work focuses on SmNiO$_3$ as a prototypical system, employing…

材料科学 · 物理学 2025-03-12 Guoyong Shi , Fenglin Deng , Ri He , Dachuan Chen , Xuejiao Chen , Peiheng Jiang , Zhicheng Zhong

The rare-earth nickelates are a rich playground for transport properties, known to host non-Fermi liquid character, resistance saturation and metal-insulator transitions. We report a study of transport in LaNiO3 in the presence of tunable…

Although discovery in hydrogen induced electronic transition within perovskite family of rare-earth nickelate (ReNiO3) opens up a new paradigm in exploring both the new materials functionality and device applications, the existing research…

材料科学 · 物理学 2022-03-14 Yi Bian , Haiyan Li , Fengbo Yan , Haifan Li , Jiaou Wang , Hao Zhang , Yong Jiang , Nuofu Chen , Jikun Chen

For most metals, increasing temperature (T) or disorder will quicken electron scattering. This hypothesis informs the Drude model of electronic conductivity. However, for so-called bad metals this predicts scattering times so short as to…

强关联电子 · 物理学 2015-06-17 R. Jaramillo , Sieu D. Ha , D. M. Silevitch , Shriram Ramanathan

The perovksite rare-earth nickelates, RNiO$_3$ (R=La ... Lu), are a class of materials displaying a rich phase-diagram of metallic and insulating phases associated with charge and magnetic order. Being in the charge transfer regime,…

强关联电子 · 物理学 2015-04-14 John W. Freeland , Michel van Veenendaal , Jak Chakhalian

The metal-insulator transition (MIT) remains among the most thoroughly studied phenomena in solid state physics, but the complexity of the phenomena, which usually involves cooperation of many degrees of freedom including orbitals,…

强关联电子 · 物理学 2019-01-29 Kristjan Haule , Gheorghe L. Pascut

We propose a simple theoretical description of the metal-insulator transition of rare-earth nickelates. The theory involves only two orbitals per nickel site, corresponding to the low-energy anti-bonding $e_g$ states. In the monoclinic…

强关联电子 · 物理学 2015-03-26 Alaska Subedi , Oleg E. Peil , Antoine Georges

In transition metal oxides electron-electron interaction and lattice degree of freedom are basic ingredients of emergent phenomena, such as metal-to-insulator transition (MIT) and superconductivity. Perovskite rare-earth nickelates are…

Motivated by recent Fermi surface and transport measurements on LaNiO3, we study the Mott Metal-Insulator transitions of perovskite nickelates, with the chemical formula RNiO3, where R is a rare-earth ion. We introduce and study a minimal…

强关联电子 · 物理学 2015-05-28 SungBin Lee , Ru Chen , Leon Balents

The metal-insulator transition (MIT) of bulk rare-earth nickelates is accompanied by a simultaneous charge ordering (CO) transition. We have investigated low-frequency resistance fluctuations (noise) across the MIT and magnetic transition…

强关联电子 · 物理学 2019-09-05 Gopi Nath Daptary , Siddharth Kumar , M. Kareev , J. Chakhalian , Aveek Bid , S. Middey

Oxygen vacancies play a crucial role in the control of the electronic, magnetic, ionic, and transport properties of functional oxide perovskites. Rare earth nickelates (RENiO$_{3-x}$) have emerged over the years as a rich platform to study…

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