乐胖代购免代理版

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Using first\u2010principle computations, this study thoroughly investigates the structural, thermoelectric, and optical attributes of A2<\/jats:sub>TlAgF6<\/jats:sub> (A\u2009=\u2009Rb, Cs). Tolerance factor and formation energy estimates are used to verify that these materials exist in the cubic phase. Elastic constants with high melting temperature values are ductile when evaluated for mechanical stability using the Born stability criterion. The optical absorption band is adjusted from 2 to 4\u2009eV via band gaps of 1.88 and 1.99\u2009eV, as indicated by band structures. Analysis of optical properties reveals perfect absorption in the visible spectrum, whole polarization, and low optical loss. Furthermore, thermoelectric properties are assessed at 300, 500, and 700\u2009K in the range of \u22120.5 to 3\u2009eV for chemical potential (\u03bc<\/jats:italic>). The materials exhibit significant improvements in the Figure of Merit scale due to their elevated electrical conductivity, Seebeck coefficient, and extremely low thermal conductivity values.<\/jats:p>","DOI":"10.1002\/jcc.27347","type":"journal-article","created":{"date-parts":[[2024,3,22]],"date-time":"2024-03-22T09:29:30Z","timestamp":1711099770000},"page":"1576-1586","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":35,"title":["Opto\u2010electronic and thermophysical characteristics of A_{2<\/sub>TlAgF_{6<\/sub><\/scp> (A\u2009=\u2009Rb, Cs) for green technology applications"],"prefix":"10.1002","volume":"45","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9964-1144","authenticated-orcid":false,"given":"Samah","family":"Al\u2010Qaisi","sequence":"first","affiliation":[{"name":"Palestinian Ministry of Education and Higher Education Nablus Palestine"}]},{"given":"Nazia","family":"Iram","sequence":"additional","affiliation":[{"name":"Institute of Physics Bahauddin Zakariya University Multan Pakistan"}]},{"given":"Saidi","family":"Samah","sequence":"additional","affiliation":[{"name":"Department of Physics, College of Science and Humanities in Al\u2010Kharj Prince Sattam Bin Abdulaziz University Al\u2010Kharj Saudi Arabia"},{"name":"Physics Department, Faculty of Sciences of Monastir Laboratory of Interfaces and Advanced Materials Monastir Tunisia"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-2936-2301","authenticated-orcid":false,"given":"Afaf Khadr","family":"Alqorashi","sequence":"additional","affiliation":[{"name":"Department of Physics, Faculty of Science Taif University Taif Saudi Arabia"}]},{"given":"A. I.","family":"Aljameel","sequence":"additional","affiliation":[{"name":"Department of Physics, College of Science Imam Mohammad Ibn Saud Islamic University (IMSIU) Riyadh Saudi Arabia"}]},{"given":"Tahani A.","family":"Alrebdi","sequence":"additional","affiliation":[{"name":"Department of Physics, College of Science Princess Nourah Bint Abdulrahman University Riyadh Saudi Arabia"}]},{"given":"Zeesham","family":"Abbas","sequence":"additional","affiliation":[{"name":"Department of Nanotechnology and Advanced Materials Engineering Sejong University Seoul Republic of Korea"}]},{"given":"S.","family":"Bouzgarrou","sequence":"additional","affiliation":[{"name":"Department of Physics, College of Science Qassim University Buraidah Saudi Arabia"},{"name":"Laboratoire de Micro\u00e9lectronique et Instrumentation (UR 03\/13\u201004) Facult\u00e9 des Sciences de Monastir Monastir Tunisia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0090-2384","authenticated-orcid":false,"given":"Md. Ferdous","family":"Rahman","sequence":"additional","affiliation":[{"name":"Advanced Energy Materials and Solar Cell Research Laboratory, Department of Electrical and Electronic Engineering Begum Rokeya University Rangpur Bangladesh"}]},{"given":"Ajay Singh","family":"Verma","sequence":"additional","affiliation":[{"name":"Division of Research & Innovation, School of Applied and Life Sciences Uttaranchal University Dehradun India"}]}],"member":"311","published-online":{"date-parts":[[2024,3,22]]},"reference":[{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1002\/adma.201605242"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.1038\/nphoton.2016.62"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.1039\/C7TA00366H"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41566-017-0012-4"},{"key":"e_1_2_7_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.rser.2018.03.058"},{"key":"e_1_2_7_7_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja809598r"},{"key":"e_1_2_7_8_1","doi-asserted-by":"publisher","DOI":"10.1063\/5.0021238"},{"key":"e_1_2_7_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jpcs.2018.02.032"},{"key":"e_1_2_7_10_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.0c01968"},{"key":"e_1_2_7_11_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b09645"},{"key":"e_1_2_7_12_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.joule.2021.04.008"},{"key":"e_1_2_7_13_1","doi-asserted-by":"publisher","DOI":"10.1002\/aenm.201803150"},{"key":"e_1_2_7_14_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.nanolett.7b04659"},{"key":"e_1_2_7_15_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.9b12440"},{"key":"e_1_2_7_16_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.7b02221"},{"key":"e_1_2_7_17_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.mtcomm.2021.102842"},{"key":"e_1_2_7_18_1","doi-asserted-by":"publisher","DOI":"10.1007\/s11082-023-06113-9"},{"key":"e_1_2_7_19_1","doi-asserted-by":"publisher","DOI":"10.1142\/S0217984924501446"},{"key":"e_1_2_7_20_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.mssp.2022.107077"},{"key":"e_1_2_7_21_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.solener.2022.05.018"},{"key":"e_1_2_7_22_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.mseb.2021.115456"},{"key":"e_1_2_7_23_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00339-020-04132-x"},{"key":"e_1_2_7_24_1","doi-asserted-by":"publisher","DOI":"10.1039\/C6RA11607H"},{"key":"e_1_2_7_25_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.5143578"},{"key":"e_1_2_7_26_1","doi-asserted-by":"publisher","DOI":"10.1002\/adom.201900801"},{"key":"e_1_2_7_27_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.4896681"},{"key":"e_1_2_7_28_1","doi-asserted-by":"publisher","DOI":"10.1002\/smll.202004513"},{"key":"e_1_2_7_29_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.9b06195"},{"key":"e_1_2_7_30_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.optmat.2010.07.002"},{"key":"e_1_2_7_31_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.0c07029"},{"key":"e_1_2_7_32_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.81.085209"},{"volume-title":"WIEN2k: An Augmented PlaneWave + Local Orbitals Program for Calculating Crystal Properties. 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