{"id":"https://openalex.org/W1499080347","doi":"https://doi.org/10.1002/pssr.201308183","title":"DFT and k \u00b7 p modelling of the phase transitions of lead and tin halide perovskites for photovoltaic cells","display_name":"DFT and k \u00b7 p modelling of the phase transitions of lead and tin halide perovskites for photovoltaic cells","publication_year":2013,"publication_date":"2013-10-30","ids":{"openalex":"https://openalex.org/W1499080347","doi":"https://doi.org/10.1002/pssr.201308183","mag":"1499080347"},"language":"en","primary_location":{"id":"doi:10.1002/pssr.201308183","doi":"https://doi.org/10.1002/pssr.201308183","is_oa":false,"landing_page_url":"https://doi.org/10.1002/pssr.201308183","pdf_url":null,"source":{"id":"https://openalex.org/S4210198591","display_name":"physica status solidi (RRL) - Rapid Research Letters","issn_l":"1862-6254","issn":["1862-6254","1862-6270"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-100","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"physica status solidi (RRL) \u2013 Rapid Research Letters","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W1499080347"],"child_works_count":0,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://hal.science/hal-00920121","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5055401545","display_name":"Jacky Even","orcid":"https://orcid.org/0000-0002-4607-3390","observed_orcids":["https://orcid.org/0000-0002-4607-3390"]},"institutions":[{"id":"https://openalex.org/I126425946","display_name":"Universit\u00e9 Europ\u00e9enne de Bretagne","ror":"https://ror.org/033c46s90","country_code":"FR","type":"education","lineage":["https://openalex.org/I126425946"]},{"id":"https://openalex.org/I28221208","display_name":"Institut National des Sciences Appliqu\u00e9es de Rennes","ror":"https://ror.org/04xaa4j22","country_code":"FR","type":"education","lineage":["https://openalex.org/I28221208","https://openalex.org/I56067802"]},{"id":"https://openalex.org/I4210138837","display_name":"Fonctions Optiques pour les Technologies de l\u2019information","ror":"https://ror.org/03yn94905","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I28221208","https://openalex.org/I4210095849","https://openalex.org/I4210138837","https://openalex.org/I56067802"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Jacky Even","raw_affiliation_strings":["Universite\u0301 Europe\u0301enne de Bretagne, INSA-FOTON-UMR 6082, 35708 Rennes, France","Universit\u00e9 Europe\u00e9nne de Bretagne INSA, FOTON  UMR 6082 35708 Rennes France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universite\u0301 Europe\u0301enne de Bretagne, INSA-FOTON-UMR 6082, 35708 Rennes, France","institution_ids":["https://openalex.org/I126425946","https://openalex.org/I28221208","https://openalex.org/I4210138837"]},{"raw_affiliation_string":"Universit\u00e9 Europe\u00e9nne de Bretagne INSA, FOTON  UMR 6082 35708 Rennes France","institution_ids":["https://openalex.org/I126425946","https://openalex.org/I28221208","https://openalex.org/I4210138837"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029924352","display_name":"Laurent P\u00e9desseau","orcid":"https://orcid.org/0000-0001-9414-8644","observed_orcids":["https://orcid.org/0000-0001-9414-8644"]},"institutions":[{"id":"https://openalex.org/I126425946","display_name":"Universit\u00e9 Europ\u00e9enne de Bretagne","ror":"https://ror.org/033c46s90","country_code":"FR","type":"education","lineage":["https://openalex.org/I126425946"]},{"id":"https://openalex.org/I28221208","display_name":"Institut National des Sciences Appliqu\u00e9es de Rennes","ror":"https://ror.org/04xaa4j22","country_code":"FR","type":"education","lineage":["https://openalex.org/I28221208","https://openalex.org/I56067802"]},{"id":"https://openalex.org/I4210138837","display_name":"Fonctions Optiques pour les Technologies de l\u2019information","ror":"https://ror.org/03yn94905","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I28221208","https://openalex.org/I4210095849","https://openalex.org/I4210138837","https://openalex.org/I56067802"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Laurent Pedesseau","raw_affiliation_strings":["Universite\u0301 Europe\u0301enne de Bretagne, INSA-FOTON-UMR 6082, 35708 Rennes, France","Universit\u00e9 Europe\u00e9nne de Bretagne INSA, FOTON  UMR 6082 35708 Rennes France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universite\u0301 Europe\u0301enne de Bretagne, INSA-FOTON-UMR 6082, 35708 Rennes, France","institution_ids":["https://openalex.org/I126425946","https://openalex.org/I28221208","https://openalex.org/I4210138837"]},{"raw_affiliation_string":"Universit\u00e9 Europe\u00e9nne de Bretagne INSA, FOTON  UMR 6082 35708 Rennes France","institution_ids":["https://openalex.org/I126425946","https://openalex.org/I28221208","https://openalex.org/I4210138837"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5106916148","display_name":"Jean\u2010Marc Jancu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I126425946","display_name":"Universit\u00e9 Europ\u00e9enne de Bretagne","ror":"https://ror.org/033c46s90","country_code":"FR","type":"education","lineage":["https://openalex.org/I126425946"]},{"id":"https://openalex.org/I28221208","display_name":"Institut National des Sciences Appliqu\u00e9es de Rennes","ror":"https://ror.org/04xaa4j22","country_code":"FR","type":"education","lineage":["https://openalex.org/I28221208","https://openalex.org/I56067802"]},{"id":"https://openalex.org/I4210138837","display_name":"Fonctions Optiques pour les Technologies de l\u2019information","ror":"https://ror.org/03yn94905","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I28221208","https://openalex.org/I4210095849","https://openalex.org/I4210138837","https://openalex.org/I56067802"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Jean\u2010Marc Jancu","raw_affiliation_strings":["Universite\u0301 Europe\u0301enne de Bretagne, INSA-FOTON-UMR 6082, 35708 Rennes, France","Universit\u00e9 Europe\u00e9nne de Bretagne INSA, FOTON  UMR 6082 35708 Rennes France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universite\u0301 Europe\u0301enne de Bretagne, INSA-FOTON-UMR 6082, 35708 Rennes, France","institution_ids":["https://openalex.org/I126425946","https://openalex.org/I28221208","https://openalex.org/I4210138837"]},{"raw_affiliation_string":"Universit\u00e9 Europe\u00e9nne de Bretagne INSA, FOTON  UMR 6082 35708 Rennes France","institution_ids":["https://openalex.org/I126425946","https://openalex.org/I28221208","https://openalex.org/I4210138837"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5013980649","display_name":"Claudine Katan","orcid":"https://orcid.org/0000-0002-2017-5823","observed_orcids":["https://orcid.org/0000-0002-2017-5823"]},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I4210090783","display_name":"Institut des Sciences Chimiques de Rennes","ror":"https://ror.org/00adwkx90","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I28221208","https://openalex.org/I4210090783","https://openalex.org/I4210115835","https://openalex.org/I4210128300","https://openalex.org/I56067802"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Claudine Katan","raw_affiliation_strings":["CNRS, Institut des Sciences Chimiques de Rennes, UMR 6226, 35042 Rennes, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CNRS, Institut des Sciences Chimiques de Rennes, UMR 6226, 35042 Rennes, France","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I4210090783"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5055401545"],"corresponding_institution_ids":["https://openalex.org/I126425946","https://openalex.org/I28221208","https://openalex.org/I4210138837"],"apc_list":{"value":4430,"currency":"USD","value_usd":4430},"apc_paid":null,"fwci":11.9002,"has_fulltext":false,"cited_by_count":219,"citation_normalized_percentile":{"value":0.98968729,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":88,"max":100},"biblio":{"volume":"8","issue":"1","first_page":"31","last_page":"35"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10247","display_name":"Perovskite Materials and Applications","score":0.9994999766349792,"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"}},"topics":[{"id":"https://openalex.org/T10247","display_name":"Perovskite Materials and Applications","score":0.9994999766349792,"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"}},{"id":"https://openalex.org/T10275","display_name":"2D Materials and Applications","score":9.999999747378752e-05,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.0,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/methylammonium-lead-iodide","display_name":"methylammonium lead iodide","score":0.8109999895095825},{"id":"https://openalex.org/keywords/cssni3","display_name":"CsSnI3","score":0.9539999961853027},{"id":"https://openalex.org/keywords/tin-halide-perovskites","display_name":"tin halide perovskites","score":0.8629999756813049},{"id":"https://openalex.org/keywords/phase-transitions","display_name":"phase transitions","score":0.7649999856948853},{"id":"https://openalex.org/keywords/spin-orbit-coupling","display_name":"spin-orbit coupling","score":0.8209999799728394},{"id":"https://openalex.org/keywords/optical-absorption","display_name":"optical absorption","score":0.7129999995231628},{"id":"https://openalex.org/keywords/hole-conductivity","display_name":"hole conduction","score":0.5569999814033508},{"id":"https://openalex.org/keywords/tetragonal-distortion","display_name":"tetragonal distortion","score":0.8119999766349792},{"id":"https://openalex.org/keywords/band-splitting","display_name":"band splitting","score":0.4650000035762787},{"id":"https://openalex.org/keywords/mesoscopic-solar-cells","display_name":"mesoscopic solar cells","score":0.6399999856948853},{"id":"https://openalex.org/keywords/dye-sensitized-solar-cells","display_name":"dye-sensitized solar cells","score":0.8029999732971191}],"concepts":[{"id":"https://openalex.org/C48421929","wikidata":"https://www.wikidata.org/wiki/Q81121","display_name":"Dye-sensitized solar cell","level":4,"score":0.5842772126197815},{"id":"https://openalex.org/C37243968","wikidata":"https://www.wikidata.org/wiki/Q648961","display_name":"Orthorhombic crystal system","level":3,"score":0.5838701128959656},{"id":"https://openalex.org/C525849907","wikidata":"https://www.wikidata.org/wiki/Q1096","display_name":"Tin","level":2,"score":0.5198469758033752},{"id":"https://openalex.org/C170751736","wikidata":"https://www.wikidata.org/wiki/Q503601","display_name":"Tetragonal crystal system","level":3,"score":0.4962337613105774},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.45420902967453003},{"id":"https://openalex.org/C155011858","wikidata":"https://www.wikidata.org/wiki/Q3036449","display_name":"Perovskite (structure)","level":2,"score":0.4529499113559723},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.41572582721710205},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.3974651098251343},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.2837763726711273},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.1538582146167755},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.13493189215660095},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.10061213374137878},{"id":"https://openalex.org/C17525397","wikidata":"https://www.wikidata.org/wiki/Q176140","display_name":"Electrode","level":2,"score":0.0},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.0},{"id":"https://openalex.org/C68801617","wikidata":"https://www.wikidata.org/wiki/Q162908","display_name":"Electrolyte","level":3,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1002/pssr.201308183","doi":"https://doi.org/10.1002/pssr.201308183","is_oa":false,"landing_page_url":"https://doi.org/10.1002/pssr.201308183","pdf_url":null,"source":{"id":"https://openalex.org/S4210198591","display_name":"physica status solidi (RRL) - Rapid Research Letters","issn_l":"1862-6254","issn":["1862-6254","1862-6270"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-100","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"physica status solidi (RRL) \u2013 Rapid Research Letters","raw_type":"journal-article"},{"id":"pmh:oai:HAL:hal-00920121v1","doi":null,"is_oa":true,"landing_page_url":"https://hal.science/hal-00920121","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4405252976","host_organization_name":"Centre pour la Communication Scientifique Directe","host_organization_lineage":["https://openalex.org/I4405252976"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"physica status solidi (RRL) - Rapid Research Letters (pss RRL), 2014, 8 (1), pp.31-35. ⟨10.1002/pssr.201308183⟩","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"pmh:oai:HAL:hal-00920121v1","doi":null,"is_oa":true,"landing_page_url":"https://hal.science/hal-00920121","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4405252976","host_organization_name":"Centre pour la Communication Scientifique Directe","host_organization_lineage":["https://openalex.org/I4405252976"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"physica status solidi (RRL) - Rapid Research Letters (pss RRL), 2014, 8 (1), pp.31-35. ⟨10.1002/pssr.201308183⟩","raw_type":"info:eu-repo/semantics/article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","score":0.75,"display_name":"Affordable and clean energy"}],"study_designs":[],"awards":[{"id":"https://openalex.org/G1942181556","display_name":"Perovskites inside cavities","funder_award_id":"ANR-10-BLAN-1001","funder_id":"https://openalex.org/F4320320883","funder_display_name":"Agence Nationale de la Recherche"}],"funders":[{"id":"https://openalex.org/F4320320883","display_name":"Agence Nationale de la Recherche","ror":"https://ror.org/00rbzpz17"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":31,"referenced_works":["https://openalex.org/W1965464747","https://openalex.org/W1969815211","https://openalex.org/W1971836490","https://openalex.org/W1977057564","https://openalex.org/W1978306317","https://openalex.org/W1979086238","https://openalex.org/W1980216394","https://openalex.org/W1981368803","https://openalex.org/W1982952953","https://openalex.org/W2006151188","https://openalex.org/W2006271366","https://openalex.org/W2035223648","https://openalex.org/W2039864133","https://openalex.org/W2042468043","https://openalex.org/W2045586093","https://openalex.org/W2047025995","https://openalex.org/W2049190361","https://openalex.org/W2051840604","https://openalex.org/W2057327293","https://openalex.org/W2058060834","https://openalex.org/W2067766605","https://openalex.org/W2076489714","https://openalex.org/W2081640113","https://openalex.org/W2081909864","https://openalex.org/W2114118829","https://openalex.org/W2133130045","https://openalex.org/W2144574847","https://openalex.org/W2158785361","https://openalex.org/W2169328609","https://openalex.org/W2171105325","https://openalex.org/W2313740112"],"related_works":["https://openalex.org/W2077950792","https://openalex.org/W2611802644","https://openalex.org/W2998699620","https://openalex.org/W7164192278","https://openalex.org/W7128955817","https://openalex.org/W4389308114","https://openalex.org/W4323855117","https://openalex.org/W2738235066","https://openalex.org/W2910692498","https://openalex.org/W7171388528"],"abstract_inverted_index":{"Abstract":[0],"3D":[1],"hybrid":[2,64],"organic":[3],"perovskites,":[4],"CH":[5,134,177],"3":[6,8,10,40,120,135,137,139,178,180,182],"NH":[7,136,179],"PbX":[9],"(X":[11],"=":[12,142],"halogen),":[13],"have":[14],"recently":[15,130],"been":[16],"used":[17,45,58,213],"to":[18,30,59,75,122,146,206,210],"strongly":[19],"improve":[20],"the":[21,79,84,88,101,123,129,147,156,173,187,192,211],"efficiency":[22],"of":[23,34,104,118,133,176,186],"dye":[24],"sensitized":[25],"solar":[26,37],"cells":[27],"(DSSC)":[28],"leading":[29,121],"a":[31,163,184],"new":[32],"class":[33],"low\u2010cost":[35],"mesoscopic":[36],"cells.":[38],"CsSnI":[39,119],"perovskite":[41],"can":[42],"also":[43,151],"be":[44],"for":[46,98],"hole":[47,108],"conduction":[48,85],"in":[49,83,214],"DSSC.":[50,215],"Density":[51],"functional":[52],"theory":[53],"and":[54,62,65,87,128],"GW":[55],"corrections":[56],"are":[57,150,160,203],"compare":[60],"lead":[61],"tin":[63],"all\u2010inorganic":[66],"perovskites.":[67],"The":[68,113,195],"room":[69,124,148],"temperature":[70,115,125],"optical":[71],"absorption":[72],"is":[73,93,110],"associated":[74],"electronic":[76,188],"transitions":[77],"between":[78],"spin\u2013orbit":[80,169],"split\u2010off":[81],"band":[82,86,106],"valence":[89],"band.":[90],"Spin\u2013orbit":[91],"coupling":[92],"about":[94],"three":[95],"times":[96],"smaller":[97],"tin.":[99],"Moreover,":[100],"effective":[102],"mass":[103],"relevant":[105],"edge":[107],"states":[109],"small":[111],"(0.17).":[112],"high":[114],"phase":[116,127,159],"sequence":[117],"orthorhombic":[126],"reported":[131],"phases":[132,175],"MI":[138,181],"(where":[140],"M":[141],"Pb,":[143],"Sn)":[144],"close":[145],"temperature,":[149],"studied.":[152],"Tetragonal":[153],"distortions":[154],"from":[155,191],"ideal":[157],"cubic":[158],"analysed":[161],"by":[162],"k":[164],"\u00b7":[165],"p":[166],"perturbation,":[167],"including":[168],"effect.":[170],"In":[171],"addition,":[172],"non\u2010centrosymmetric":[174],"exhibit":[183],"splitting":[185],"bands":[189],"away":[190],"critical":[193],"point.":[194],"present":[196],"work":[197],"shows":[198],"that":[199],"their":[200],"physical":[201],"properties":[202],"more":[204],"similar":[205],"conventional":[207],"semiconductors":[208],"than":[209],"absorbers":[212],"(\u00a9":[216],"2014":[217],"WILEY\u2010VCH":[218],"Verlag":[219],"GmbH":[220],"&":[221],"Co.":[222],"KGaA,":[223],"Weinheim)":[224]},"counts_by_year":[{"year":2026,"cited_by_count":10},{"year":2025,"cited_by_count":8},{"year":2024,"cited_by_count":7},{"year":2023,"cited_by_count":11},{"year":2022,"cited_by_count":13},{"year":2021,"cited_by_count":14},{"year":2020,"cited_by_count":23},{"year":2019,"cited_by_count":23},{"year":2018,"cited_by_count":24},{"year":2017,"cited_by_count":22},{"year":2016,"cited_by_count":28},{"year":2015,"cited_by_count":14},{"year":2014,"cited_by_count":21},{"year":2013,"cited_by_count":1}],"updated_date":"2026-11-12T12:28:57.059296","created_date":"2016-06-24T00:00:00"}