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Electronic structure, phonons, and dielectric anomaly in ferromagnetic insulating double pervoskite La2NiMnO6.

TLDR
This study reveals the existence of very soft infrared active phonons that couple strongly with spins at the Ni and Mn sites through modification of the superexchange interaction, and suggests that these modes are the origin for the observed dielectric anomaly in La2NiMnO6.
Abstract
Using first-principles density functional calculations, we study the electronic and magnetic properties of the ferromagnetic insulating double perovskite compound La2NiMnO6, which has been reported to exhibit an interesting magnetic field sensitive dielectric anomaly as a function of temperature. Our study reveals the existence of very soft infrared active phonons that couple strongly with spins at the Ni and Mn sites through modification of the superexchange interaction. We suggest that these modes are the origin for the observed dielectric anomaly in La2NiMnO6.

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Journal ArticleDOI

Exchange bias in LaNiO3-LaMnO3 superlattices.

TL;DR: It is demonstrated how interfacial interactions can induce a complex magnetic structure in a non-magnetic material and specifically show that exchange bias can unexpectedly emerge in heterostructures consisting of paramagnetic LaNiO3 (LNO) and ferromagnetic LaMnO 3 (LMO).
Journal ArticleDOI

Near room-temperature multiferroic materials with tunable ferromagnetic and electrical properties

TL;DR: This work reports on the first-principles-based prediction of a specific class of materials--namely, R2NiMnO6/La2NiO6 superlattices where R is a rare-earth ion--that exhibit an electrical polarization and strong ferromagnetic order near room temperature, and whose electrical and feromagnetic properties can be tuned by means of chemical pressure and/or epitaxial strain.
Journal ArticleDOI

Spin-phonon coupling effects in transition-metal perovskites: A DFT + U and hybrid-functional study

TL;DR: In this article, the authors investigated the spin-phonon coupling effects between ferromagnetic and antiferromagnetic (G$-type) configurations in cubic cubic CaMnO{}_{3}$, SrMn{}{3}, BaMnÕO{3}, BaMÕÞÁÁµ, LaCrOµO${}µ, LaFeÁ µ, and LaFeO{µµ.
Journal ArticleDOI

Electronic and magnetic properties of La2NiMnO6 and La2CoMnO6 with cationic ordering

TL;DR: In this article, the electronic and magnetic properties of La2NiMnO6 and La2CoMnNO6 with Ni/Mn and Co/mn ordering in (001, (110), and (111) directions were investigated.
Journal ArticleDOI

Atomically dispersed nonmagnetic electron traps improve oxygen reduction activity of perovskite oxides

TL;DR: In this article, a nonmagnetic hexavalent molybdenum (Mo6+) atomically dispersed within oxide lattice steers the intrinsic activity of catalytically active sites by entrapping extrinsic electrons at their 3D orbitals, without the occurrence of lattice symmetry breaking and magnetic perturbation.
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