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Literature DB >> 9986496

Electronic structure and orbital ordering in perovskite-type 3d transition-metal oxides studied by Hartree-Fock band-structure calculations.

Abstract

Entities: Chemical

Year: 1996 PMID： 9986496 DOI： 10.1103/physrevb.54.5368

Source DB: PubMed Journal: Phys Rev B Condens Matter ISSN： 0163-1829

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5 in total

1. Spin and orbital Ti magnetism at LaMnO3/SrTiO3 interfaces.

Authors: J Garcia-Barriocanal; J C Cezar; F Y Bruno; P Thakur; N B Brookes; C Utfeld; A Rivera-Calzada; S R Giblin; J W Taylor; J A Duffy; S B Dugdale; T Nakamura; K Kodama; C Leon; S Okamoto; J Santamaria
Journal: Nat Commun Date: 2010-09-21 Impact factor: 14.919

2. Exploration for the Optical Properties and Fluorescent Prediction of Nitrotriazole and Nitrofurazan: First-Principles and TD-DFT Calculations.

Authors: Ruiqi Lyu; Zhiyu Huang; Hongbo Deng; Yue Wei; Jia Chen; Kai Zhong; Rong Wang; Chuanlin Mou; Linyuan Wang
Journal: ACS Omega Date: 2022-06-03

3. Spin resolved electron density study of YTiO₃ in its ferromagnetic phase: signature of orbital ordering.

Authors: Ariste Bolivard Voufack; Iurii Kibalin; Zeyin Yan; Nicolas Claiser; Saber Gueddida; Béatrice Gillon; Florence Porcher; Arsen Gukasov; Kunishisa Sugimoto; Claude Lecomte; Slimane Dahaoui; Jean-Michel Gillet; Mohamed Souhassou
Journal: IUCrJ Date: 2019-08-02 Impact factor: 4.769

4. Electronic parameters in cobalt-based perovskite-type oxides as descriptors for chemocatalytic reactions.

Authors: Johannes Simböck; M Ghiasi; Simon Schönebaum; Ulrich Simon; Frank M F de Groot; Regina Palkovits
Journal: Nat Commun Date: 2020-01-31 Impact factor: 14.919

5. Anomalous High-Energy Waterfall-Like Electronic Structure in 5 d Transition Metal Oxide Sr2IrO4 with a Strong Spin-Orbit Coupling.

Authors: Yan Liu; Li Yu; Xiaowen Jia; Jianzhou Zhao; Hongming Weng; Yingying Peng; Chaoyu Chen; Zhuojin Xie; Daixiang Mou; Junfeng He; Xu Liu; Ya Feng; Hemian Yi; Lin Zhao; Guodong Liu; Shaolong He; Xiaoli Dong; Jun Zhang; Zuyan Xu; Chuangtian Chen; Gang Cao; Xi Dai; Zhong Fang; X J Zhou
Journal: Sci Rep Date: 2015-08-12 Impact factor: 4.379