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We use density-functional theory calculations to explore the magnetic properties of perovskite rare-earth nickelates, $\mathcal{R}$NiO$_3$, by constructing microscopic magnetic models containing all relevant exchange interactions via…

材料科学 · 物理学 2021-08-04 Danis I. Badrtdinov , Alexander Hampel , Cyrus E. Dreyer

The origin of the metal-to-insulator transition in RNiO3 perovskites with trivalent 4f ion has challenged the condensed matter research community for almost three decades. A drawback for progress in this direction has been the lack of…

Nickelates are known for their metal to insulator transition (MIT) and an unusual magnetic ordering, occurring at T=T_N\'eel. Here, we investigate thin films of SmNiO_3 subjected to different levels of epitaxial strain. We find that the…

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

Rare-earth nickelates form an intriguing series of correlated perovskite oxides. Apart from LaNiO3, they exhibit on cooling a sharp metal-insulator electronic phase transition, a concurrent structural phase transition and a magnetic phase…

材料科学 · 物理学 2018-02-07 Alain Mercy , Jordan Bieder , Jorge Iniguez , Philippe Ghosez

For decades transition-metal oxides have generated a huge interest due to the multitude of physical phenomena they exhibit. In this class of materials, the rare-earth nickelates, $R$NiO$_3$, stand out for their rich phase diagram stemming…

强关联电子 · 物理学 2023-09-18 Luca Binci , Michele Kotiuga , Iurii Timrov , Nicola Marzari

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) 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

The relative role of electron-electron and electron-lattice interactions in driving the metal-insulator transition in perovskite nickelates opens a rare window into the non-trivial interplay of the two important degrees of freedom in…

Interaction between the lattice and the orbital degrees of freedom not only makes rare-earth nickelates unusually "bad metal", but also introduces a temperature driven insulator-metal phase transition. Here we investigate this…

强关联电子 · 物理学 2014-08-20 Anindita Sahoo , Sieu D. Ha , Shriram Ramanathan , Arindam Ghosh

The results are presented of anelastic and dielectric spectroscopy measurements on large grain ceramic PZT with compositions near the two morphotropic phase boundaries (MPBs) that the ferroelectric (FE) rhombohedral phase has with the…

材料科学 · 物理学 2013-03-27 F. Cordero , F. Trequattrini , F. Craciun , C. Galassi

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

Perovskite nickelate heterostructure consisting of single unit cell of EuNiO$_3$ and LaNiO$_3$ have been grown on a set of single crystalline substrates by pulsed laser interval deposition to investigate the effect of epitaxial strain on…

强关联电子 · 物理学 2018-08-01 S. Middey , D. Meyers , Shashank Kumar Ojha , M. Kareev , X. Liu , Y. Cao , J. W. Freeland , J. Chakhalian

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…

An important strategy for understanding the microscopic physics of strongly correlated systems and enhancing their technological potential is to selectively drive the fundamental degrees of freedom out of equilibrium. Intense terahertz…

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 the temperature dependence of the optical conductivity of rare-earth nickelate films of varying composition and strain close to the antiferromagnetic ordering temperature, TN. Two prominent peaks at 0.6 and 1.3 eV, which are…

Density functional theory is used to investigate the effect of biaxial strain on the structural, electronic and magnetic properties of [111]-oriented NdNiO$_3$, as a representative of the rare-earth perovskites that undergo…

材料科学 · 物理学 2025-07-29 Alexander Lione , Jorge Íñiguez-González , Nicholas C. Bristowe

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…

We use density functional plus $U$ methods to study the effects of a tensile or compressive substrate strain on the charge-ordered insulating phase of LuNiO$_3$. The numerical results are analyzed in terms of a Landau energy function, with…

强关联电子 · 物理学 2015-06-03 Zhuoran He , Andrew J. Millis
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