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Understanding the structure-band gap relationship in SrZrS3 at elevated temperatures: a detailed NPT MD study
Title Understanding 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 Language eng - English Country GB - Great Britian URL URL link Document kind rozpis článkov z periodík (rbx) Citations JANSEN, 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. Category ADCA - 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 document článok Year 2022 Registered in WOS Registered in SCOPUS Registered in CCC DOI 10.1039/d2tc02253b article
File name Access Size Downloaded Type License Understanding the structure-band gap relationship in SrZrS3 at elevated temperatures _ a detailed NPT MD study.pdf Neprístupný/archív 1.2 MB 0 Publisher's version rok CC IF IF Q (best) JCR Av Jour IF Perc SJR SJR Q (best) CiteScore A rok vydania rok metriky IF IF Q (best) SJR SJR Q (best) 2022 2021 8.067 Q1 1.608 Q1
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