Barium strontium titanate-based perovskite materials from DFT perspective: assessing the structural, electronic, vibrational, dielectric and energetic properties-Reference-Cited by-同舟云学术

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Barium strontium titanate-based perovskite materials from DFT perspective: assessing the structural, electronic, vibrational, dielectric and energetic properties

Published:2021-02-26 Issue:3 Volume:140 Page:
ISSN:1432-881X
Container-title:Theoretical Chemistry Accounts
language:en
Short-container-title:Theor Chem Acc

Author:

Mesquita Weber Duarte,de Jesus Sabrina Rodrigues,Oliveira Marisa Carvalho^ORCID,Ribeiro Renan A. Pontes,de Cássia Santos Maria Rita,Junior Mario Godinho,Longo Elson,do Carmo Gurgel Maria Fernanda

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fundação de Amparo à Pesquisa do Estado de São Paulo

Fundação de Amparo à Pesquisa do Estado de Goiás

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1007/s00214-021-02723-2.pdf

Reference77 articles.

1. Mohamed EA, Nabhan E, Ratep A, Hassan FM, Tahoon K (2020) Influence of BaTiO3 nanoparticles/clusters on the structural and dielectric properties of glasses-nanocomposites. Phys B Condens Matter 589:412220

2. Stanciu CA, Cernea M, Secu EC, Aldica G, Ganea P, Trusca R (2017) Lanthanum influence on the structure, dielectric properties and luminescence of BaTiO3 ceramics processed by spark plasma sintering technique. J Alloys Compd 706:538–545

3. Piskunov S, Eglitis RI (2015) First principles hybrid DFT calculations of BaTiO3/SrTiO3 (001) interface. Solid State Ion 274:29–33

4. Chao S, Dogan F (2011) BaTiO3–SrTiO3 layered dielectrics for energy storage. Mater Lett 65(6):978–981

5. Kang F, Zhang L, Huang B, Mao P, Wang Z, Sun Q, Wang J, Hu D (2020) Enhanced electromechanical properties of SrTiO3-BiFeO3-BaTiO3 ceramics via relaxor behavior and phase boundary design. J Eur Ceram Soc 40(4):1198–1204

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2. DFT Investigation of the Structural, Electronic, and Optical Properties of AsTi (Bi)-Phase ZnO under Pressure for Optoelectronic Applications;Materials;2023-10-31

3. Electronic structure and optical properties of tin (IV) doped transparent perovskite crystal BaTiO3 for efficient visible optoelectronic devices and solar cells;Materials Today Communications;2023-06

4. Effect of Cobalt Doping on Structural, Morphological, Magnetic, Electrical, and Optical Properties of (Ba_0.7Sr_0.3)_0.98Ca_0.02Ti_1−XCo_xO₃ Ceramics for Device Applications;physica status solidi (a);2023-06

5. Synergistic Effects of B-F/B-S and Nitrogen Vacancy Co-Doping on g-C3N4 and Photocatalytic CO2 Reduction Mechanisms: A DFT Study;Molecules;2022-11-06

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