{"id":"https://openalex.org/W2058091801","doi":"https://doi.org/10.1103/physrevb.65.014111","title":"Polarization properties of ZnO and BeO: Anab initiostudy through the Berry phase and Wannier functions approaches","display_name":"Polarization properties of ZnO and BeO: Anab initiostudy through the Berry phase and Wannier functions approaches","publication_year":2001,"publication_date":"2001-12-12","ids":{"openalex":"https://openalex.org/W2058091801","doi":"https://doi.org/10.1103/physrevb.65.014111","mag":"2058091801"},"language":"en","primary_location":{"id":"doi:10.1103/physrevb.65.014111","doi":"https://doi.org/10.1103/physrevb.65.014111","is_oa":false,"landing_page_url":"https://doi.org/10.1103/physrevb.65.014111","pdf_url":null,"source":{"id":"https://openalex.org/S4210174675","display_name":"Physical review. B, Condensed matter","issn_l":"0163-1829","issn":["0163-1829","1095-3795"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","ki-jl-2"],"host_organization":"https://openalex.org/P4310320261","host_organization_name":"American Physical Society","host_organization_lineage":["https://openalex.org/P4310320261"],"host_organization_lineage_names":["American Physical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review B","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/A5109083337","display_name":"Yves N\u00f6el","orcid":"https://orcid.org/0000-0001-8750-4823","observed_orcids":["https://orcid.org/0000-0001-8750-4823"]},"institutions":[{"id":"https://openalex.org/I4405264447","display_name":"Universit\u00e9 Pierre-et-Marie-Curie","ror":"https://ror.org/01yvrd251","country_code":"FR","type":"education","lineage":["https://openalex.org/I39804081","https://openalex.org/I4405264447"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Y. Noel","raw_affiliation_strings":["Laboratoire PMMP, Universit\u00e9 Pierre et Marie Curie, Paris 6, 4 Place Jussieu, 75252 Paris Cedex 05, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratoire PMMP, Universit\u00e9 Pierre et Marie Curie, Paris 6, 4 Place Jussieu, 75252 Paris Cedex 05, France","institution_ids":["https://openalex.org/I4405264447"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053231214","display_name":"Claudio Marcelo Zicovich-Wilson","orcid":"https://orcid.org/0000-0001-6116-9166","observed_orcids":["https://orcid.org/0000-0001-6116-9166"]},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"education","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"C. M. Zicovich-Wilson","raw_affiliation_strings":["Department CIFM, University of Torino, via Giuria 5, I-10125 Torino, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department CIFM, University of Torino, via Giuria 5, I-10125 Torino, Italy","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031384734","display_name":"Bartolomeo Civalleri","orcid":"https://orcid.org/0000-0003-3198-3161","observed_orcids":["https://orcid.org/0000-0003-3198-3161"]},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"education","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"B. Civalleri","raw_affiliation_strings":["Department CIFM, University of Torino, via Giuria 5, I-10125 Torino, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department CIFM, University of Torino, via Giuria 5, I-10125 Torino, Italy","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111897430","display_name":"Ph. D\u2019Arco","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4405264447","display_name":"Universit\u00e9 Pierre-et-Marie-Curie","ror":"https://ror.org/01yvrd251","country_code":"FR","type":"education","lineage":["https://openalex.org/I39804081","https://openalex.org/I4405264447"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Ph. D\u2019Arco","raw_affiliation_strings":["Laboratoire PMMP, Universit\u00e9 Pierre et Marie Curie, Paris 6, 4 Place Jussieu, 75252 Paris Cedex 05, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratoire PMMP, Universit\u00e9 Pierre et Marie Curie, Paris 6, 4 Place Jussieu, 75252 Paris Cedex 05, France","institution_ids":["https://openalex.org/I4405264447"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5027086608","display_name":"Roberto Dovesi","orcid":"https://orcid.org/0000-0002-9821-9128","observed_orcids":["https://orcid.org/0000-0002-9821-9128"]},"institutions":[{"id":"https://openalex.org/I4210099850","display_name":"Istituto Nazionale di Fisica Nucleare, Sezione di Torino","ror":"https://ror.org/01vj6ck58","country_code":"IT","type":"facility","lineage":["https://openalex.org/I160013858","https://openalex.org/I4210099850"]},{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"education","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"R. Dovesi","raw_affiliation_strings":["Department CIFM, University of Torino, via Giuria 5, I-10125 Torino, Italy","Unit\u00e0 INFM di Torino, Sezione F, via Giuria 5, I-10125 Torino, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department CIFM, University of Torino, via Giuria 5, I-10125 Torino, Italy","institution_ids":["https://openalex.org/I55143463"]},{"raw_affiliation_string":"Unit\u00e0 INFM di Torino, Sezione F, via Giuria 5, I-10125 Torino, Italy","institution_ids":["https://openalex.org/I4210099850"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5027086608"],"corresponding_institution_ids":["https://openalex.org/I4210099850","https://openalex.org/I55143463"],"apc_list":null,"apc_paid":null,"fwci":2.5219,"has_fulltext":false,"cited_by_count":254,"citation_normalized_percentile":{"value":0.88121656,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"65","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10090","display_name":"ZnO doping and properties","score":0.44699999690055847,"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/T10090","display_name":"ZnO doping and properties","score":0.44699999690055847,"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":0.4399000108242035,"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"}},{"id":"https://openalex.org/T10107","display_name":"Ferroelectric and Piezoelectric Materials","score":0.024399999529123306,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/zinc-oxide","display_name":"zinc oxide","score":0.7829999923706055},{"id":"https://openalex.org/keywords/beryllium-oxide","display_name":"beryllium oxide","score":1.0},{"id":"https://openalex.org/keywords/spontaneous-polarization","display_name":"spontaneous polarization","score":0.9909999966621399},{"id":"https://openalex.org/keywords/piezoelectric-coefficient","display_name":"piezoelectric coefficient","score":0.9950000047683716},{"id":"https://openalex.org/keywords/berry-phase","display_name":"Berry phase","score":0.9490000009536743},{"id":"https://openalex.org/keywords/wannier-functions","display_name":"Wannier functions","score":0.9679999947547913}],"concepts":[{"id":"https://openalex.org/C14022793","wikidata":"https://www.wikidata.org/wiki/Q1152058","display_name":"Wannier function","level":2,"score":0.88966965675354},{"id":"https://openalex.org/C17269025","wikidata":"https://www.wikidata.org/wiki/Q3283","display_name":"Geometric phase","level":2,"score":0.8521188497543335},{"id":"https://openalex.org/C70050531","wikidata":"https://www.wikidata.org/wiki/Q899089","display_name":"Delocalized electron","level":2,"score":0.782148003578186},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.6907942295074463},{"id":"https://openalex.org/C205049153","wikidata":"https://www.wikidata.org/wiki/Q2698605","display_name":"Polarization (electrochemistry)","level":2,"score":0.5727320909500122},{"id":"https://openalex.org/C100082104","wikidata":"https://www.wikidata.org/wiki/Q183759","display_name":"Piezoelectricity","level":2,"score":0.4376399517059326},{"id":"https://openalex.org/C189394030","wikidata":"https://www.wikidata.org/wiki/Q53860","display_name":"Atomic orbital","level":3,"score":0.4291319251060486},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.42633187770843506},{"id":"https://openalex.org/C44280652","wikidata":"https://www.wikidata.org/wiki/Q104837","display_name":"Phase (matter)","level":2,"score":0.41374409198760986},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.3983479142189026},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.38011473417282104},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.35928380489349365},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.31995269656181335},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.11540934443473816},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.07886093854904175},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.0743856430053711},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1103/physrevb.65.014111","doi":"https://doi.org/10.1103/physrevb.65.014111","is_oa":false,"landing_page_url":"https://doi.org/10.1103/physrevb.65.014111","pdf_url":null,"source":{"id":"https://openalex.org/S4210174675","display_name":"Physical review. B, Condensed matter","issn_l":"0163-1829","issn":["0163-1829","1095-3795"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","ki-jl-2"],"host_organization":"https://openalex.org/P4310320261","host_organization_name":"American Physical Society","host_organization_lineage":["https://openalex.org/P4310320261"],"host_organization_lineage_names":["American Physical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review B","raw_type":"journal-article"},{"id":"pmh:oai:iris.unito.it:2318/22028","doi":null,"is_oa":false,"landing_page_url":"http://hdl.handle.net/2318/22028","pdf_url":null,"source":{"id":"https://openalex.org/S4306400637","display_name":"Institutional Research Information System University of Turin (University of Turin)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I55143463","host_organization_name":"University of Turin","host_organization_lineage":["https://openalex.org/I55143463"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":36,"referenced_works":["https://openalex.org/W1593661534","https://openalex.org/W1981144057","https://openalex.org/W1984501422","https://openalex.org/W1988129446","https://openalex.org/W1988433067","https://openalex.org/W1988594943","https://openalex.org/W1993641826","https://openalex.org/W1999440372","https://openalex.org/W2002194503","https://openalex.org/W2004152963","https://openalex.org/W2006071870","https://openalex.org/W2008330382","https://openalex.org/W2012111359","https://openalex.org/W2014015984","https://openalex.org/W2015115007","https://openalex.org/W2024146103","https://openalex.org/W2026293635","https://openalex.org/W2036113194","https://openalex.org/W2041331368","https://openalex.org/W2042834151","https://openalex.org/W2044095971","https://openalex.org/W2046604198","https://openalex.org/W2049303112","https://openalex.org/W2061674541","https://openalex.org/W2074950413","https://openalex.org/W2080942482","https://openalex.org/W2089363127","https://openalex.org/W2095211096","https://openalex.org/W2103560360","https://openalex.org/W2110699624","https://openalex.org/W2127628584","https://openalex.org/W2149920638","https://openalex.org/W2151895170","https://openalex.org/W2164805481","https://openalex.org/W2675811540","https://openalex.org/W4236029003"],"related_works":["https://openalex.org/W2363093049","https://openalex.org/W2034426392","https://openalex.org/W4245993718","https://openalex.org/W2049110390","https://openalex.org/W2075024827","https://openalex.org/W3022668585","https://openalex.org/W1659033248","https://openalex.org/W2087218211","https://openalex.org/W4226426310","https://openalex.org/W2015442067"],"abstract_inverted_index":{"The":[0,43],"spontaneous":[1],"polarization":[2],"and":[3,9,35,65],"the":[4,26,37,50,59],"piezoelectric":[5],"constants":[6],"of":[7,39,46],"ZnO":[8],"BeO":[10],"are":[11,56,66],"calculated":[12],"at":[13],"an":[14],"ab":[15],"initio":[16],"quantum-mechanical":[17],"level":[18],"by":[19],"using":[20],"two":[21,44],"alternative":[22],"strategies,":[23],"namely,":[24],"through":[25,36],"Berry":[27],"phase":[28],"scheme":[29],"applied":[30],"to":[31],"delocalized":[32],"crystalline":[33],"orbitals,":[34],"definition":[38],"well-localized":[40],"Wannier":[41],"functions.":[42],"sets":[45],"results,":[47],"obtained":[48],"in":[49,58,67],"same":[51],"computational":[52],"conditions":[53],"(both":[54],"schemes":[55],"implemented":[57],"CRYSTAL":[60],"code)":[61],"compare":[62],"extremely":[63],"well,":[64],"good":[68],"agreement":[69],"with":[70],"available":[71],"experimental":[72],"data.":[73]},"counts_by_year":[{"year":2026,"cited_by_count":6},{"year":2025,"cited_by_count":11},{"year":2024,"cited_by_count":7},{"year":2023,"cited_by_count":10},{"year":2022,"cited_by_count":12},{"year":2021,"cited_by_count":9},{"year":2020,"cited_by_count":14},{"year":2019,"cited_by_count":8},{"year":2018,"cited_by_count":13},{"year":2017,"cited_by_count":12},{"year":2016,"cited_by_count":14},{"year":2015,"cited_by_count":11},{"year":2014,"cited_by_count":20},{"year":2013,"cited_by_count":22},{"year":2012,"cited_by_count":11}],"updated_date":"2026-11-11T12:16:26.678958","created_date":"2016-06-24T00:00:00"}