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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,…

Strongly Correlated Electrons · Physics 2015-04-14 John W. Freeland , Michel van Veenendaal , Jak Chakhalian

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…

Disorder-driven degradation phenomena, such as structural phase transformations and surface reconstructions, can significantly reduce the lifetime of Li-ion batteries, especially those with nickel-rich layered-oxide cathodes. We develop a…

Chemical Physics · Physics 2023-04-25 Debbie Zhuang , Martin Z. Bazant

The work functions of 7Li and 6Li metals have been measured as a function of temperature, by using photoionization of pure isolated metal nanoparticles in a beam. These data reveal a marked isotope effect in the temperature variation of…

Mesoscale and Nanoscale Physics · Physics 2026-02-18 Atef A. Sheekhoon , Abdelrahman O. Haridy , Vitaly V. Kresin

Trilayer nickelates are a rich class of materials exhibiting diverse correlated phenomena, including superconductivity, density wave transitions, non-Fermi liquid behavior along with an unusual metal-to-metal transition around T* ~ 150 K.…

Strongly Correlated Electrons · Physics 2025-12-04 Sonia Deswal , Deepu Kumar , Dibyata Rout , Surjeet Singh , Pradeep Kumar

Lithium ion batteries often contain transition metal oxides like Li$_{x}$Mn$_2$O$_4$ ($0\leq x\leq2$). Depending on the Li content different ratios of Mn$^\text{III}$ to Mn$^\text{IV}$ ions are present. In combination with electron hopping…

Materials Science · Physics 2022-01-25 Marco Eckhoff , Knut Nikolas Lausch , Peter E. Blöchl , Jörg Behler

The YNiO$_3$ nickelate is a paradigm d-electron oxide that manifests the intriguing temperature-mediated sequence of three phases transitions from (i) magnetically ordered insulator to (ii) paramagnetic (PM) insulator and then to (iii) PM…

Materials Science · Physics 2023-03-16 Oleksandr I. Malyi , Alex Zunger

We probe the density-wave transition of the trilayer nickelate La$_4$Ni$_3$O$_{10}$ with polarization-resolved infrared spectroscopy. The low-energy electrodynamics is strongly anisotropic, with metallic in-plane and insulating out-of-plane…

A strong correlation between zero-temperature superfluid density ($\rho_{s0}$) and transition temperature ($T_c$) is considered as a hallmark of unconventional superconductivity. However, their relationship has yet to be unveiled in…

While most of the rare-earth nickelates exhibit a temperature-driven sharp metal-insulator transition, LaNiO$_3$ is the only exception remaining metallic down to low temperatures. Using local density approximation as an input to dynamical…

Strongly Correlated Electrons · Physics 2014-03-04 Debolina Misra

Cubic spinel Li$_{\rm 1+x}$Ti$_2$O$_4$ is a promising electrode material as it exhibits a high lithium diffusivity and undergoes minimal changes in lattice parameters during lithiation and delithiation, thereby ensuring favorable…

We present a novel heterostructured approach to disentangle the mechanism of electrical transport of the strongly correlated PrNiO3, by placing the nickelate under the photoconductor CdS. This enables the injection of carriers into PrNiO3…

Strongly Correlated Electrons · Physics 2023-12-11 Henry Navarro , Sarmistha Das , Felipe Torres , Rourav Basak , Erbin Qiu , Nicolas M. Vargas , Pavel Lapa , Ivan K. Schuller , Alex Frano

Using first principles calculations, we study the ground-state structure of bulk proton-exchanged lithium niobate, which is also called hydrogen niobate and is widely used in waveguides. Thermodynamics helps to establish the most favorable…

Materials Science · Physics 2022-11-09 Lingyuan Gao , Robert B. Wexler , Ruixiang Fei , Andrew M. Rappe

The transport and thermoelectric properties of the interface between SrTiO$_3$ and a 26-monolayer thick LaAlO$_3$-layer grown at high oxygen-pressure have been investigated at temperatures from 4.2 K to 100 K and in magnetic fields up to 18…

Mesoscale and Nanoscale Physics · Physics 2015-03-31 A. Jost , V. K. Guduru , S. Wiedmann , J. C. Maan , U. Zeitler , S. Wenderich , A. Brinkman , H. Hilgenkamp

Three charge-ordering lanthanum nickelates La2-xAxNiO4, substituted with specific amounts of A = Sr, Ca, and Ba to achieve commensurate charge order, are investigated using broadband dielectric spectroscopy up to GHz frequencies. The…

Strongly Correlated Electrons · Physics 2012-07-31 P. Sippel , S. Krohns , E. Thoms , E. Ruff , S. Riegg , H. Kirchhain , F. Schrettle , A. Reller , P. Lunkenheimer , A. Loidl

We report a high-resolution neutron diffraction study of the crystal and magnetic structure of the orbitally-degenerate frustrated metallic magnet AgNiO2. At high temperatures the structure is hexagonal with a single crystallographic Ni…

Strongly Correlated Electrons · Physics 2009-11-13 E. Wawrzynska , R. Coldea , E. M. Wheeler , T. Sorgel , M. Jansen , R. M. Ibberson , P. G. Radaelli , M. M. Koza

We interpret via advanced ab initio calculations the multiple phase transitions observed recently in ultra-thin LaNiO$_{3}$/LaAlO$_{3}$ superlattices. The ground state is insulating, charge-ordered, and antiferromagnetic due to concurrent…

Materials Science · Physics 2012-11-22 Danilo Puggioni , Alessio Filippetti , Vincenzo Fiorentini

We examine the electronic properties of newly discovered "ferroelectric" metal LiOsO$_3$ combining density-functional and dynamical mean-field theories. We show that the material is close to a Mott transition and that electronic…

Materials Science · Physics 2015-08-26 Danilo Puggioni , Gianluca Giovannetti , Massimo Capone , James M. Rondinelli

Nickel oxide nanoparticles of different sizes are prepared and characterized by x-ray diffraction and transmission electron microscopy. A.C. susceptibility measurements as a function of temperature are carried out for various particle sizes…

Soft Condensed Matter · Physics 2007-05-23 S. D. Tiwari , K. P. Rajeev

We use variable-temperature (150--300\,K) single-crystal X-ray diffraction to re-examine the interplay between structure and dynamics in the ambient phase of the isotropic negative thermal expansion (NTE) material Cd(CN)$_2$. We find strong…

Materials Science · Physics 2015-06-05 Vanessa E. Fairbank , Amber L. Thompson , Richard I. Cooper , Andrew L. Goodwin