{"id":"https://openalex.org/W4294283753","doi":"https://doi.org/10.1007/s10948-022-06375-6","title":"First-Principles Investigation of Structural, Elastic, Thermoelectric, Electronic, and Optical Properties of Ordered Double Perovskite Ba2MWO6 (M = Mg, Zn, and Cd)","display_name":"First-Principles Investigation of Structural, Elastic, Thermoelectric, Electronic, and Optical Properties of Ordered Double Perovskite Ba2MWO6 (M = Mg, Zn, and Cd)","publication_year":2022,"publication_date":"2022-08-20","ids":{"openalex":"https://openalex.org/W4294283753","doi":"https://doi.org/10.1007/s10948-022-06375-6"},"language":"en","primary_location":{"id":"doi:10.1007/s10948-022-06375-6","doi":"https://doi.org/10.1007/s10948-022-06375-6","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10948-022-06375-6","pdf_url":null,"source":{"id":"https://openalex.org/S89963981","display_name":"Journal of Superconductivity and Novel Magnetism","issn_l":"1557-1939","issn":["1557-1939","1557-1947"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-1","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Superconductivity and Novel Magnetism","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5102947649","display_name":"Amine Harbi","orcid":"https://orcid.org/0000-0003-3489-1334","observed_orcids":["https://orcid.org/0000-0003-3489-1334"]},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"A. Harbi","raw_affiliation_strings":["Department of Chemistry, Faculty of Sciences, Laboratory of Chemistry and Physics of Materials LCPM, University of Casablanca, Casablanca, Morocco"],"raw_orcid":"https://orcid.org/0000-0003-3489-1334","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Faculty of Sciences, Laboratory of Chemistry and Physics of Materials LCPM, University of Casablanca, Casablanca, Morocco","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5087802097","display_name":"M. Moutaabbid","orcid":"https://orcid.org/0000-0002-6973-8682","observed_orcids":["https://orcid.org/0000-0002-6973-8682"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"M. Moutaabbid","raw_affiliation_strings":["Department of Chemistry, Faculty of Sciences, Laboratory of Chemistry and Physics of Materials LCPM, University of Casablanca, Casablanca, Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Faculty of Sciences, Laboratory of Chemistry and Physics of Materials LCPM, University of Casablanca, Casablanca, Morocco","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":["https://openalex.org/A5102947649"],"corresponding_institution_ids":[],"apc_list":{"value":3390,"currency":"USD","value_usd":3390},"apc_paid":null,"fwci":1.1235,"has_fulltext":false,"cited_by_count":33,"citation_normalized_percentile":{"value":0.74197908,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":100},"biblio":{"volume":"35","issue":"11","first_page":"3447","last_page":"3456"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10440","display_name":"Advanced Thermoelectric Materials and Devices","score":0.8544999957084656,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10440","display_name":"Advanced Thermoelectric Materials and Devices","score":0.8544999957084656,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10607","display_name":"Magnetic and transport properties of perovskites and related materials","score":0.06639999896287918,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13251","display_name":"Electrical and Thermal Properties of Materials","score":0.011099999770522118,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/double-perovskite-oxides","display_name":"double perovskite oxides","score":0.8529999852180481},{"id":"https://openalex.org/keywords/thermoelectric-properties","display_name":"thermoelectric properties","score":0.9459999799728394},{"id":"https://openalex.org/keywords/figure-of-merit","display_name":"figure of merit","score":0.7429999709129333},{"id":"https://openalex.org/keywords/elastic-constants","display_name":"elastic constants","score":0.871999979019165},{"id":"https://openalex.org/keywords/mechanical-stability","display_name":"mechanical stability","score":0.9139999747276306},{"id":"https://openalex.org/keywords/elastic-anisotropy","display_name":"elastic anisotropy","score":0.8899999856948853},{"id":"https://openalex.org/keywords/band-structure","display_name":"electronic band structure","score":0.7129999995231628},{"id":"https://openalex.org/keywords/indirect-band-gap","display_name":"indirect band gap","score":0.9269999861717224},{"id":"https://openalex.org/keywords/optical-properties","display_name":"optical properties","score":0.8460000157356262},{"id":"https://openalex.org/keywords/refractive-index","display_name":"refractive index","score":0.7770000100135803},{"id":"https://openalex.org/keywords/absorption-coefficient","display_name":"absorption coefficient","score":0.625},{"id":"https://openalex.org/keywords/high-temperature-thermoelectrics","display_name":"high-temperature thermoelectrics","score":0.7540000081062317}],"concepts":[{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.7789691686630249},{"id":"https://openalex.org/C63024428","wikidata":"https://www.wikidata.org/wiki/Q552456","display_name":"Thermoelectric effect","level":2,"score":0.6580536365509033},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.6114254593849182},{"id":"https://openalex.org/C132612359","wikidata":"https://www.wikidata.org/wiki/Q625641","display_name":"Lattice constant","level":3,"score":0.6093636751174927},{"id":"https://openalex.org/C41279357","wikidata":"https://www.wikidata.org/wiki/Q461466","display_name":"Shear modulus","level":2,"score":0.5952731370925903},{"id":"https://openalex.org/C94406020","wikidata":"https://www.wikidata.org/wiki/Q900371","display_name":"Bulk modulus","level":2,"score":0.561286211013794},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.5239363312721252},{"id":"https://openalex.org/C85725439","wikidata":"https://www.wikidata.org/wiki/Q466686","display_name":"Anisotropy","level":2,"score":0.523131787776947},{"id":"https://openalex.org/C181966813","wikidata":"https://www.wikidata.org/wiki/Q806352","display_name":"Band gap","level":2,"score":0.49464675784111023},{"id":"https://openalex.org/C130277099","wikidata":"https://www.wikidata.org/wiki/Q3676605","display_name":"Figure of merit","level":2,"score":0.48457467555999756},{"id":"https://openalex.org/C43486711","wikidata":"https://www.wikidata.org/wiki/Q192005","display_name":"Elastic modulus","level":2,"score":0.48260629177093506},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.4544047713279724},{"id":"https://openalex.org/C112625512","wikidata":"https://www.wikidata.org/wiki/Q1091448","display_name":"Seebeck coefficient","level":3,"score":0.4489995241165161},{"id":"https://openalex.org/C42067758","wikidata":"https://www.wikidata.org/wiki/Q174102","display_name":"Refractive index","level":2,"score":0.44204649329185486},{"id":"https://openalex.org/C125469278","wikidata":"https://www.wikidata.org/wiki/Q806380","display_name":"Electronic band structure","level":2,"score":0.43074262142181396},{"id":"https://openalex.org/C193154288","wikidata":"https://www.wikidata.org/wiki/Q959336","display_name":"Direct and indirect band gaps","level":3,"score":0.4246750473976135},{"id":"https://openalex.org/C155011858","wikidata":"https://www.wikidata.org/wiki/Q3036449","display_name":"Perovskite (structure)","level":2,"score":0.4104052484035492},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.2629200220108032},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.15814295411109924},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.1472545564174652},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.14254432916641235},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.12180629372596741},{"id":"https://openalex.org/C207114421","wikidata":"https://www.wikidata.org/wiki/Q133900","display_name":"Diffraction","level":2,"score":0.1129547655582428},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.09699416160583496},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.09188508987426758},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.07242059707641602}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/s10948-022-06375-6","doi":"https://doi.org/10.1007/s10948-022-06375-6","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10948-022-06375-6","pdf_url":null,"source":{"id":"https://openalex.org/S89963981","display_name":"Journal of Superconductivity and Novel Magnetism","issn_l":"1557-1939","issn":["1557-1939","1557-1947"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-1","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Superconductivity and Novel Magnetism","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":33,"referenced_works":["https://openalex.org/W1969137849","https://openalex.org/W1984003326","https://openalex.org/W1990616974","https://openalex.org/W1992556958","https://openalex.org/W2000791300","https://openalex.org/W2001930367","https://openalex.org/W2003721929","https://openalex.org/W2008466385","https://openalex.org/W2016168218","https://openalex.org/W2049948622","https://openalex.org/W2061966594","https://openalex.org/W2073531811","https://openalex.org/W2079480338","https://openalex.org/W2081870935","https://openalex.org/W2085099960","https://openalex.org/W2088925839","https://openalex.org/W2094225318","https://openalex.org/W2111289585","https://openalex.org/W2120145199","https://openalex.org/W2427700362","https://openalex.org/W2802812332","https://openalex.org/W2885444127","https://openalex.org/W2899281876","https://openalex.org/W2924463250","https://openalex.org/W2941742094","https://openalex.org/W2949588173","https://openalex.org/W2969910609","https://openalex.org/W3009713490","https://openalex.org/W3081104744","https://openalex.org/W3081903222","https://openalex.org/W3191687263","https://openalex.org/W4225926995","https://openalex.org/W4236835979"],"related_works":["https://openalex.org/W4319596095","https://openalex.org/W4389038313","https://openalex.org/W7054667513","https://openalex.org/W7108477625","https://openalex.org/W2024438484","https://openalex.org/W4386046835","https://openalex.org/W4402229104","https://openalex.org/W4403417487","https://openalex.org/W4413271687","https://openalex.org/W4401056217"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":16},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":9},{"year":2023,"cited_by_count":7}],"updated_date":"2026-10-09T09:14:12.587421","created_date":"2022-09-02T00:00:00"}
