Electronic, magnetic and optical properties of the charge-disproportionated YNiO<sub>3</sub> compound calculated using the GGA+<i>U</i> method-Reference-Cited by-同舟云学术

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Electronic, magnetic and optical properties of the charge-disproportionated YNiO₃ compound calculated using the GGA+U method

Published:2024 Issue:26 Volume:14 Page:18291-18295
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

da Silva Edjan Alves¹,de Candido Samuel Domenech²,Abbate Miguel³^ORCID

Affiliation:

1. Instituto de Fisica, Universidade Federal do Rio Grande do Sul, Av. Bento Gonçalves 9500, 91501-970 Porto Alegre, RS, Brazil

2. Instituto Federal de Educação, Ciência e Tecnologia, Campus Campo Grande, Rua Taquari 831, 79100-510 Campo Grande, MS, Brazil

3. Departamento de Fisica, Universidade Federal do Parana, Caixa Postal 19044, 81531-990 Curitiba, PR, Brazil

Abstract

Charge disproportionation in YNiO3 changes the electronic structure at the Ni1 and Ni2 sites.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/RA/D4RA01908C

Reference36 articles.

1. Systematic study of insulator-metal transitions in perovskites RNiO3 (R=Pr,Nd,Sm,Eu) due to closing of charge-transfer gap

2. Progress in perovskite nickelate research

3. Neutron-diffraction study ofRNiO3(R=La,Pr,Nd,Sm): Electronically induced structural changes across the metal-insulator transition

4. Charge Disproportionation inRNiO3Perovskites: Simultaneous Metal-Insulator and Structural Transition inYNiO3

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