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RESEARCH PAPER · Physical Review Materials · 2023

Rise and fall of Mott insulating gaps in YNiO3 paramagnets as a reflection of symmetry breaking and remaking

Oleksandr I. Malyi, Alex Zunger

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17 direct citing papers in this saved network. Explore the next layer with second-order citations.

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Rise and fall of Mott insulating gaps in YNiO3 paramagnets as a reflection of symmetry breaking and remakingOriginalImperfections are not 0 K: free energy of point defects in crystals59Insulating band gaps both below and above the Néel temperature in d -electron LaTiO3 , LaVO3 , SrMnO3 , and LaMnO3 perovskites as a symmetry-breaking event13Temperature-induced suppression of structural disproportionation in paramagnetic quantum materials3B-site disorder driven Griffiths-like phase and electrochemical behavior in Y 2 NiCrO 6 double perovskite24Elastic precursor softening in proper ferroelastic materials: A molecular dynamics study6Impact of symmetry breaking and spin-orbit coupling on the band gap of halide perovskites39Hidden magnetism and split off flat bands in the insulator metal transition in VO25Symmetry breaking forms split-off flat bands in quantum oxides controlling metal versus insulator phases7Why Charge Added Using Transition Metals to Some Insulators, Including LK-99, Localizes and Does Not Yield a Metal6Role of magnetic and structural symmetry breaking in forming the Mott insulating gap in Nb 3 Cl 88FAPbI3 phase transformation mechanism based on quantum dynamics1Spin-orbit coupling induced Rashba effect of Cs 2 SnBr 6 / PdS 2 heterostructure with spin carrier dynamics under pressure0Influence of Native Defects on the Structural, Electronic, Thermal, and Ionic Transport Properties of YBO 3 ± δ Perovskites1Exploring gapped metals: An emerging class of multi-functional quantum materials1A perspective on advancing electron-phonon coupling calculations with meta-generalized gradient approximations0Octahedral Dynamics and Local Symmetry in Hybrid Perovskite FAPbI 3 under Thermal Excitation1Electron-phonon coupling in magnetic materials using the local spin density approximation1

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17 direct citing papers saved.

  1. Imperfections are not 0 K: free energy of point defects in crystals

    Chemical Society Reviews · 2023-01-01

    Irea Mosquera‐Lois, Seán R. Kavanagh, Johan Klarbring, Kasper Tolborg, Aron Walsh

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  2. Insulating band gaps both below and above the Néel temperature in d -electron LaTiO3 , LaVO3 , SrMnO3 , and LaMnO3 perovskites as a symmetry-breaking event

    Physical Review Materials · 2023-07-21

    Oleksandr I. Malyi, Xingang Zhao, Alex Zunger

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  3. Temperature-induced suppression of structural disproportionation in paramagnetic quantum materials

    Journal of Applied Physics · 2024-02-02

    Himanshu Joshi, Mateusz Wlazło, Harshan Reddy Gopidi, Oleksandr I. Malyi

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  4. B-site disorder driven Griffiths-like phase and electrochemical behavior in Y 2 NiCrO 6 double perovskite

    Journal of Physics D Applied Physics · 2024-02-20

    M. Akhtarul Islam, Mohasin Tarek, Md Asif Adib, M. A. Basith

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  5. Elastic precursor softening in proper ferroelastic materials: A molecular dynamics study

    Physical Review Research · 2024-03-04

    Guangming Lu, F. Cordero, Hideo Kimura, Xiangdong Ding, Zhijun Xu, Ruiqing Chu, Christopher J. Howard, Michael A. Carpenter, Ekhard K. H. Salje

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  6. Impact of symmetry breaking and spin-orbit coupling on the band gap of halide perovskites

    Physical review. B./Physical review. B · 2024-07-30

    Fernando P. Sabino, Xin Zhao, Gustavo M. Dalpian, Alex Zunger

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  7. Hidden magnetism and split off flat bands in the insulator metal transition in VO2

    npj Computational Materials · 2024-09-13

    Xiuwen Zhang, Jia-Xin Xiong, Alex Zunger

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  8. Symmetry breaking forms split-off flat bands in quantum oxides controlling metal versus insulator phases

    Physical review. B./Physical review. B · 2025-01-30

    Jia-Xin Xiong, Xiuwen Zhang, Alex Zunger

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  9. Why Charge Added Using Transition Metals to Some Insulators, Including LK-99, Localizes and Does Not Yield a Metal

    Chemistry of Materials · 2025-02-19

    Alexandru Bogdan Georgescu

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  10. Role of magnetic and structural symmetry breaking in forming the Mott insulating gap in Nb 3 Cl 8

    Physical review. B./Physical review. B · 2025-04-14

    Jia-Xin Xiong, Xiuwen Zhang, Alex Zunger

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  11. FAPbI3 phase transformation mechanism based on quantum dynamics

    Organic Electronics · 2025-07-23

    Yidong Zhao, Zihe Cao, Yi Yang, Xiaolu Chen, Anyu Jiang, Qiang Lü, Bing Zhang

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  12. Spin-orbit coupling induced Rashba effect of Cs 2 SnBr 6 / PdS 2 heterostructure with spin carrier dynamics under pressure

    Physical review. B./Physical review. B · 2025-09-18

    Minjie Zhang, Ningning Yao, Yanming Lin, Zhenyi Jiang, Aijun Du

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  13. Influence of Native Defects on the Structural, Electronic, Thermal, and Ionic Transport Properties of YBO 3 ± δ Perovskites

    Inorganic Chemistry · 2026-01-23

    Nathan Rabelo Martins, ALAN Antônio das Graças SANTOS, Luiz Augusto Ferreira de Campos Viana, L. M. R. Scolfaro, Daiane Damasceno Borges, Daiane Damasceno Borges

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  14. Exploring gapped metals: An emerging class of multi-functional quantum materials

    Applied Physics Reviews · 2026-02-13

    Muhammad Rizwan Khan, Ghulam Hussain, Jin Yang, Xiaoguang Li, Jincheng Kong, Zheng Wang

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  15. A perspective on advancing electron-phonon coupling calculations with meta-generalized gradient approximations

    APL Computational Physics · 2026-06-01

    Ruiqi Zhang, Jianwei Sun

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  16. Octahedral Dynamics and Local Symmetry in Hybrid Perovskite FAPbI 3 under Thermal Excitation

    ACS Omega · 2026-06-17

    Himanshu Joshi, Kailash Chandra Bhamu, Amit Shankar, R. Biswas, Mateusz Wlazło

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  17. Electron-phonon coupling in magnetic materials using the local spin density approximation

    Physical review. B./Physical review. B · 2026-07-08

    Álvaro Adrián Carrasco Álvarez, Matteo Giantomassi, Jae-Mo Lihm, Guillaume E. Allemand, Maxime Mignolet, Matthieu Jean Verstraete, Samuel Poncé

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