{"id":"https://openalex.org/W3098769285","doi":"https://doi.org/10.7498/aps.68.20190664","title":"First-principles investigation on elastic, electronic, and optical properties of Ti3O5","display_name":"First-principles investigation on elastic, electronic, and optical properties of Ti3O5","publication_year":2019,"publication_date":"2019-01-01","ids":{"openalex":"https://openalex.org/W3098769285","doi":"https://doi.org/10.7498/aps.68.20190664","mag":"3098769285"},"language":"en","primary_location":{"id":"doi:10.7498/aps.68.20190664","doi":"https://doi.org/10.7498/aps.68.20190664","is_oa":true,"landing_page_url":"https://doi.org/10.7498/aps.68.20190664","pdf_url":null,"source":{"id":"https://openalex.org/S950076683","display_name":"Acta Physica Sinica","issn_l":"1000-3290","issn":["1000-3290"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","ki-jl-1","norway-1","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319982","host_organization_name":"Science Press","host_organization_lineage":["https://openalex.org/P4310319982"],"host_organization_lineage_names":["Science Press"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Acta Physica Sinica","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"https://doi.org/10.7498/aps.68.20190664","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5089152163","display_name":"Xiankai Fu","orcid":"https://orcid.org/0000-0001-9088-3350","observed_orcids":["https://orcid.org/0000-0001-9088-3350"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Xian-Kai Fu","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061449915","display_name":"Wan-Qi Chen","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Wan-Qi Chen","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Zhong-Sheng Jiang","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Zhong-Sheng Jiang","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101899545","display_name":"Bo Yang","orcid":"https://orcid.org/0000-0002-9048-6387","observed_orcids":["https://orcid.org/0000-0002-9048-6387","https://orcid.org/0000-0003-3097-6576","https://orcid.org/0000-0003-2133-0554","https://orcid.org/0000-0003-4123-3735","https://orcid.org/0000-0003-3805-7830"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Bo Yang","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065273431","display_name":"Xiang Min Zhao","orcid":"https://orcid.org/0000-0001-7526-8261","observed_orcids":["https://orcid.org/0000-0001-7526-8261"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Xiang Zhao","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5022540704","display_name":"Liang Zuo","orcid":"https://orcid.org/0000-0003-2971-3701","observed_orcids":["https://orcid.org/0000-0003-2971-3701"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Liang Zuo","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0787,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.29958297,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":95},"biblio":{"volume":"68","issue":"20","first_page":"207301","last_page":"207301"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11128","display_name":"Transition Metal Oxide Nanomaterials","score":0.8711000084877014,"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"}},"topics":[{"id":"https://openalex.org/T11128","display_name":"Transition Metal Oxide Nanomaterials","score":0.8711000084877014,"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/T10275","display_name":"2D Materials and Applications","score":0.01979999989271164,"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/T11878","display_name":"Solid-state spectroscopy and crystallography","score":0.015599999576807022,"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/ti3o5","display_name":"Ti3O5","score":0.9900000095367432},{"id":"https://openalex.org/keywords/first-order-phase-transition","display_name":"first-order phase transition","score":0.7570000290870667},{"id":"https://openalex.org/keywords/beta-phase","display_name":"beta phase","score":0.9990000128746033},{"id":"https://openalex.org/keywords/elastic-constants","display_name":"elastic constants","score":0.9039999842643738},{"id":"https://openalex.org/keywords/born-stability-criteria","display_name":"Born stability criteria","score":0.7639999985694885},{"id":"https://openalex.org/keywords/elastic-anisotropy","display_name":"elastic anisotropy","score":0.9430000185966492},{"id":"https://openalex.org/keywords/electronic-structure","display_name":"electronic structure","score":0.8790000081062317},{"id":"https://openalex.org/keywords/optical-properties","display_name":"optical properties","score":0.7229999899864197},{"id":"https://openalex.org/keywords/photoinduced-phase-transition","display_name":"photoinduced phase transition","score":0.871999979019165},{"id":"https://openalex.org/keywords/stimulated-emission","display_name":"stimulated emission","score":0.777999997138977},{"id":"https://openalex.org/keywords/charge-transfer","display_name":"charge transfer","score":0.3779999911785126}],"concepts":[{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4536724090576172},{"id":"https://openalex.org/C44280652","wikidata":"https://www.wikidata.org/wiki/Q104837","display_name":"Phase (matter)","level":2,"score":0.4370886981487274},{"id":"https://openalex.org/C181966813","wikidata":"https://www.wikidata.org/wiki/Q806352","display_name":"Band gap","level":2,"score":0.419310063123703},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.4044387638568878},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.31719303131103516},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.24595630168914795},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.21520495414733887},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.7498/aps.68.20190664","doi":"https://doi.org/10.7498/aps.68.20190664","is_oa":true,"landing_page_url":"https://doi.org/10.7498/aps.68.20190664","pdf_url":null,"source":{"id":"https://openalex.org/S950076683","display_name":"Acta Physica Sinica","issn_l":"1000-3290","issn":["1000-3290"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","ki-jl-1","norway-1","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319982","host_organization_name":"Science Press","host_organization_lineage":["https://openalex.org/P4310319982"],"host_organization_lineage_names":["Science Press"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Acta Physica Sinica","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.7498/aps.68.20190664","doi":"https://doi.org/10.7498/aps.68.20190664","is_oa":true,"landing_page_url":"https://doi.org/10.7498/aps.68.20190664","pdf_url":null,"source":{"id":"https://openalex.org/S950076683","display_name":"Acta Physica Sinica","issn_l":"1000-3290","issn":["1000-3290"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","ki-jl-1","norway-1","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319982","host_organization_name":"Science Press","host_organization_lineage":["https://openalex.org/P4310319982"],"host_organization_lineage_names":["Science Press"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Acta Physica Sinica","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":30,"referenced_works":["https://openalex.org/W1500830599","https://openalex.org/W1963524029","https://openalex.org/W1984003326","https://openalex.org/W2001761484","https://openalex.org/W2008551403","https://openalex.org/W2020207132","https://openalex.org/W2030892078","https://openalex.org/W2036113194","https://openalex.org/W2044778888","https://openalex.org/W2045031808","https://openalex.org/W2051220390","https://openalex.org/W2052893998","https://openalex.org/W2057428401","https://openalex.org/W2073407695","https://openalex.org/W2073531811","https://openalex.org/W2120134124","https://openalex.org/W2146406469","https://openalex.org/W2156526016","https://openalex.org/W2158842084","https://openalex.org/W2254152428","https://openalex.org/W2295225242","https://openalex.org/W2317449987","https://openalex.org/W2345212732","https://openalex.org/W2512970305","https://openalex.org/W2522197765","https://openalex.org/W2529100389","https://openalex.org/W2589532299","https://openalex.org/W2914071815","https://openalex.org/W3111229122","https://openalex.org/W4238411175"],"related_works":["https://openalex.org/W4407930823","https://openalex.org/W4392762427","https://openalex.org/W1500830599","https://openalex.org/W2001761484","https://openalex.org/W4389673882","https://openalex.org/W3047760700","https://openalex.org/W4206043528","https://openalex.org/W2025927721","https://openalex.org/W2004814398","https://openalex.org/W4205399142"],"abstract_inverted_index":{"Ti3O5":[0,322],"is":[1,149,213,232,307],"a":[2,21,88,110,285],"highly":[3],"anticipated":[4],"functional":[5,94],"material":[6,19,58],"due":[7],"to":[8,60,92,108,190,194,234,245,272,305],"its":[9,325],"intriguing":[10],"physical":[11],"properties":[12,79],"and":[13,29,39,53,68,77,82,102,118,123,176,197,260,323],"multi-incentive":[14],"phase":[15,24,28,47,175,178,212,244,291,301,326],"transition":[16,25,292,302],"process.":[17],"This":[18],"undergoes":[20],"reversible":[22],"first-order":[23],"between":[26,262],"\u03bb":[27,174,211,248],"\u03b2":[30,177,218,243],"phase,":[31],"accompanied":[32],"by":[33,86],"drastic":[34],"changes":[35,192,196],"in":[36,63,237,254],"the":[37,115,129,139,168,204,207,222,227,238,241,246,273,289],"electronic":[38,76,119,223],"atomic":[40],"structure.":[41],"The":[42,97,125,163,184,297,313],"amazing":[43],"way":[44],"of":[45,80,113,121,132,145,154,210,217,230,240,275,294,299,316],"changing":[46],"such":[48,257],"as":[49,200,258,309],"light,":[50],"heat,":[51],"pressure":[52],"electric":[54],"current":[55],"makes":[56],"this":[57,72,280,295],"promise":[59],"be":[61,135,270],"used":[62],"future":[64],"optical":[65,78,255,276],"information":[66],"storage":[67,277],"heat":[69],"storage.":[70],"In":[71,279],"work,":[73],"structural,":[74],"elastic,":[75],"\u03bb-Ti3O5":[81,122,304],"\u03b2-Ti3O5":[83,133,306],"are":[84,104,160,187,251,315],"calculated":[85,164],"using":[87],"first-principles":[89],"approach,":[90],"according":[91],"density":[93],"theory":[95],"(DFT).":[96],"LSDA,":[98],"GGA-PBE,":[99],"GGA-91,":[100],"GGA-PS":[101],"GGA-RP":[103],"compared":[105],"among":[106],"them":[107],"obtain":[109],"suitable":[111],"method":[112],"characterizing":[114],"crystal":[116],"structure":[117,120,224],"\u03b2-Ti3O5.":[124],"energy":[126],"gap":[127],"at":[128],"Fermi":[130],"level":[131],"can":[134,269],"obtained":[136],"only":[137],"when":[138],"extra":[140],"Coulomb":[141],"correlation":[142],"U":[143],"effect":[144],"Ti":[146],"3d":[147],"electrons":[148],"considered.":[150],"A":[151],"complete":[152],"set":[153],"elastic":[155,165,208],"parameters":[156],"for":[157,319],"both":[158,198],"phases":[159,186],"first":[161],"reported.":[162],"constant":[166],"satisfies":[167],"Born":[169],"stability":[170],"criterion,":[171],"indicating":[172,266],"that":[173,216,226,267],"have":[179],"good":[180],"mechanical":[181],"structural":[182],"stability.":[183],"two":[185,264],"more":[188],"resistant":[189],"volume":[191],"than":[193,215],"shape":[195],"behave":[199],"ductile":[201],"materials.":[202,278],"On":[203],"(010)":[205],"plane,":[206],"anisotropy":[209],"weaker":[214],"phase.":[219,249],"Studies":[220],"on":[221],"show":[225],"local":[228],"charge":[229],"Ti3":[231],"transferred":[233],"Ti2,":[235],"resulting":[236],"transformation":[239],"semiconductor":[242],"metal":[247],"There":[250],"large":[252],"differences":[253],"property":[256],"absorption":[259],"reflectivity":[261],"these":[263],"structures,":[265],"they":[268],"applied":[271],"field":[274],"paper":[281],"we":[282],"also":[283],"present":[284],"new":[286],"insight":[287],"into":[288],"photoinduced":[290,300],"process":[293],"material.":[296],"mechanism":[298],"from":[303],"considered":[308],"stimulated":[310],"emission":[311],"effect.":[312],"results":[314],"significance":[317],"particularly":[318],"practically":[320],"applying":[321],"understanding":[324],"change":[327],"mechanism.":[328]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":1}],"updated_date":"2026-10-12T09:40:04.860316","created_date":"2020-11-23T00:00:00"}
