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Understanding the structure-band gap relationship in SrZrS3 at elevated temperatures: a detailed NPT MD study

  1. TitleUnderstanding the structure-band gap relationship in SrZrS3 at elevated temperatures: a detailed NPT MD study
    Author Jaykhedkar Namrata
    Co-authors Bystrický Roman 1986 SAVANOCH - Ústav anorganickej chémie SAV

    Sýkora Milan

    Bučko Tomáš 1975 SAVANOCH - Ústav anorganickej chémie SAV

    Source document Journal of Materials Chemistry C. Vol. 10, no. 33 (2022), p. 12032-12042
    Languageeng - English
    CountryGB - Great Britian
    URLURL link
    Document kindrozpis článkov z periodík (rbx)
    CitationsJANSEN, T. - BROCKS, G. - BOKDAM, M. Phase transitions of LaMnO3 and SrRuO3 from DFT + U based machine learning force fields simulations. In PHYSICAL REVIEW B. ISSN 2469-9950, DEC 5 2023, vol. 108, no. 23. Dostupné na: https://doi.org/10.1103/PhysRevB.108.235122.
    KOOCHER, N.Z. - RONDINELLI, J.M. Effect of Octahedral Connectivity on the Negative Thermal Expansion of SrZrSsub3/sub. In INORGANIC CHEMISTRY. ISSN 0020-1669, JUL 6 2023, vol. 62, no. 28, p. 11134-11141. Dostupné na: https://doi.org/10.1021/acs.inorgchem.3c01232.
    LIU, D.W. - ZENG, H.H. - PENG, H. - SA, R.J. Computational study of the fundamental properties of Zr-based chalcogenide perovskites for optoelectronics. In PHYSICAL CHEMISTRY CHEMICAL PHYSICS. ISSN 1463-9076, MAY 17 2023, vol. 25, no. 19, p. 13755-13765. Dostupné na: https://doi.org/10.1039/d3cp01522j.
    CategoryADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted)
    Category of document (from 2022)V3 - Vedecký výstup publikačnej činnosti z časopisu
    Type of documentčlánok
    Year2022
    Registered inWOS
    Registered inSCOPUS
    Registered inCCC
    DOI 10.1039/d2tc02253b
    article

    article

    File nameAccessSizeDownloadedTypeLicense
    Understanding the structure-band gap relationship in SrZrS3 at elevated temperatures _ a detailed NPT MD study.pdfNeprístupný/archív1.2 MB0Publisher's version
    rokCCIFIF Q (best)JCR Av Jour IF PercSJRSJR Q (best)CiteScore
    A
    rok vydaniarok metrikyIFIF Q (best)SJRSJR Q (best)
    202220218.067Q11.608Q1
Number of the records: 1  

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