{"id":"https://openalex.org/W7225663152","doi":"https://doi.org/10.1021/acs.inorgchem.6c05021","title":"From K4SrP2S8 to Na4SrP2S8: Alkali-Metal Cation Substitution Induces Noncentrosymmetric Structure and Moderate Second Harmonic Generation","display_name":"From K4SrP2S8 to Na4SrP2S8: Alkali-Metal Cation Substitution Induces Noncentrosymmetric Structure and Moderate Second Harmonic Generation","publication_year":2026,"publication_date":"2026-11-09","ids":{"openalex":"https://openalex.org/W7225663152","doi":"https://doi.org/10.1021/acs.inorgchem.6c05021"},"language":"en","primary_location":{"id":"doi:10.1021/acs.inorgchem.6c05021","doi":"https://doi.org/10.1021/acs.inorgchem.6c05021","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.inorgchem.6c05021","pdf_url":null,"source":{"id":"https://openalex.org/S171072222","display_name":"Inorganic Chemistry","issn_l":"0020-1669","issn":["0020-1669","1520-510X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Inorganic Chemistry","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/A5018641827","display_name":"Wenhao Xing","orcid":"https://orcid.org/0000-0003-1258-419X","observed_orcids":["https://orcid.org/0000-0003-1258-419X"]},"institutions":[{"id":"https://openalex.org/I4210163247","display_name":"Henan Institute of Science and Technology","ror":"https://ror.org/0578f1k82","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210163247"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Wenhao Xing","raw_affiliation_strings":["Henan Institute of Science and Technology , , ,"],"raw_orcid":"https://orcid.org/0000-0003-1258-419X","affiliations":[{"raw_affiliation_string":"Henan Institute of Science and Technology , , ,","institution_ids":["https://openalex.org/I4210163247"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5143699823","display_name":"Zhihui Zhang","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I2801345734","display_name":"China Academy of Engineering Physics","ror":"https://ror.org/039vqpp67","country_code":"CN","type":"facility","lineage":["https://openalex.org/I2801345734"]},{"id":"https://openalex.org/I4210163247","display_name":"Henan Institute of Science and Technology","ror":"https://ror.org/0578f1k82","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210163247"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhihui Zhang","raw_affiliation_strings":["Henan Institute of Science and Technology , , ,","Institute of Chemical Materials, China Academy of Engineering Physics , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Henan Institute of Science and Technology , , ,","institution_ids":["https://openalex.org/I4210163247"]},{"raw_affiliation_string":"Institute of Chemical Materials, China Academy of Engineering Physics , ,","institution_ids":["https://openalex.org/I2801345734"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101401290","display_name":"Jian Tang","orcid":"https://orcid.org/0000-0002-7555-0395","observed_orcids":["https://orcid.org/0000-0002-7555-0395"]},"institutions":[{"id":"https://openalex.org/I2801345734","display_name":"China Academy of Engineering Physics","ror":"https://ror.org/039vqpp67","country_code":"CN","type":"facility","lineage":["https://openalex.org/I2801345734"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jian Tang","raw_affiliation_strings":["Institute of Chemical Materials, China Academy of Engineering Physics , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Chemical Materials, China Academy of Engineering Physics , ,","institution_ids":["https://openalex.org/I2801345734"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065967463","display_name":"Fei Liang","orcid":"https://orcid.org/0000-0002-4932-1329","observed_orcids":["https://orcid.org/0000-0002-4932-1329","https://orcid.org/0009-0004-7197-4475"]},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Fei Liang","raw_affiliation_strings":["Shandong University , , ,"],"raw_orcid":"https://orcid.org/0000-0002-4932-1329","affiliations":[{"raw_affiliation_string":"Shandong University , , ,","institution_ids":["https://openalex.org/I154099455"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5053166122","display_name":"Wenlong Yin","orcid":"https://orcid.org/0000-0003-2660-0891","observed_orcids":["https://orcid.org/0000-0003-2660-0891"]},"institutions":[{"id":"https://openalex.org/I2801345734","display_name":"China Academy of Engineering Physics","ror":"https://ror.org/039vqpp67","country_code":"CN","type":"facility","lineage":["https://openalex.org/I2801345734"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wenlong Yin","raw_affiliation_strings":["Institute of Chemical Materials, China Academy of Engineering Physics , ,"],"raw_orcid":"https://orcid.org/0000-0003-2660-0891","affiliations":[{"raw_affiliation_string":"Institute of Chemical Materials, China Academy of Engineering Physics , ,","institution_ids":["https://openalex.org/I2801345734"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5018641827","https://openalex.org/A5101401290"],"corresponding_institution_ids":["https://openalex.org/I2801345734","https://openalex.org/I4210163247"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10939","display_name":"Crystal Structures and Properties","score":0.9970999956130981,"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/T10939","display_name":"Crystal Structures and Properties","score":0.9970999956130981,"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/T11025","display_name":"Nonlinear Optical Materials Research","score":0.0013000000035390258,"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/T12557","display_name":"Inorganic Chemistry and Materials","score":0.00019999999494757503,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/noncentrosymmetric-crystals","display_name":"noncentrosymmetric crystals","score":0.7919999957084656},{"id":"https://openalex.org/keywords/quaternary-sulfides","display_name":"quaternary sulfides","score":0.6970000267028809},{"id":"https://openalex.org/keywords/second-harmonic-generation","display_name":"second harmonic generation","score":0.8610000014305115},{"id":"https://openalex.org/keywords/nonlinear-optical-materials","display_name":"nonlinear optical materials","score":0.8539999723434448},{"id":"https://openalex.org/keywords/infrared-nonlinear-optics","display_name":"infrared nonlinear optics","score":0.7080000042915344},{"id":"https://openalex.org/keywords/direct-band-gap","display_name":"direct band gap","score":0.7300000190734863},{"id":"https://openalex.org/keywords/phase-matching","display_name":"phase matching","score":0.6119999885559082},{"id":"https://openalex.org/keywords/two-photon-absorption","display_name":"two-photon absorption","score":0.7749999761581421},{"id":"https://openalex.org/keywords/crystal-structure","display_name":"crystal structure","score":0.5360000133514404},{"id":"https://openalex.org/keywords/high-temperature-solid-state-synthesis","display_name":"high-temperature solid-state synthesis","score":0.7519999742507935}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9175999760627747},{"id":"https://openalex.org/C170751736","wikidata":"https://www.wikidata.org/wiki/Q503601","display_name":"Tetragonal crystal system","level":3,"score":0.6607000231742859},{"id":"https://openalex.org/C30713254","wikidata":"https://www.wikidata.org/wiki/Q1455635","display_name":"Second-harmonic generation","level":3,"score":0.6154000163078308},{"id":"https://openalex.org/C2182769","wikidata":"https://www.wikidata.org/wiki/Q62500","display_name":"Ionic bonding","level":3,"score":0.5928000211715698},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.5909000039100647},{"id":"https://openalex.org/C181966813","wikidata":"https://www.wikidata.org/wiki/Q806352","display_name":"Band gap","level":2,"score":0.5906999707221985},{"id":"https://openalex.org/C2991936344","wikidata":"https://www.wikidata.org/wiki/Q756033","display_name":"Nonlinear optical","level":3,"score":0.5906000137329102},{"id":"https://openalex.org/C2778220771","wikidata":"https://www.wikidata.org/wiki/Q1522579","display_name":"Substitution (logic)","level":2,"score":0.5347999930381775},{"id":"https://openalex.org/C158355884","wikidata":"https://www.wikidata.org/wiki/Q11388","display_name":"Infrared","level":2,"score":0.5066999793052673},{"id":"https://openalex.org/C2781311116","wikidata":"https://www.wikidata.org/wiki/Q83306","display_name":"Group (periodic table)","level":2,"score":0.48750001192092896},{"id":"https://openalex.org/C180577832","wikidata":"https://www.wikidata.org/wiki/Q127920","display_name":"Covalent bond","level":2,"score":0.4641999900341034},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.4138000011444092},{"id":"https://openalex.org/C2780596425","wikidata":"https://www.wikidata.org/wiki/Q221205","display_name":"Sulfide","level":2,"score":0.41260001063346863},{"id":"https://openalex.org/C125469278","wikidata":"https://www.wikidata.org/wiki/Q806380","display_name":"Electronic band structure","level":2,"score":0.3625999987125397},{"id":"https://openalex.org/C2780841128","wikidata":"https://www.wikidata.org/wiki/Q5073781","display_name":"Characterization (materials science)","level":2,"score":0.3589000105857849},{"id":"https://openalex.org/C176932811","wikidata":"https://www.wikidata.org/wiki/Q899033","display_name":"Space group","level":4,"score":0.35409998893737793},{"id":"https://openalex.org/C153642686","wikidata":"https://www.wikidata.org/wiki/Q70906","display_name":"Infrared spectroscopy","level":2,"score":0.3522000014781952},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.3375999927520752},{"id":"https://openalex.org/C2778572836","wikidata":"https://www.wikidata.org/wiki/Q380933","display_name":"Space (punctuation)","level":2,"score":0.3328999876976013},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.3100000023841858},{"id":"https://openalex.org/C198819137","wikidata":"https://www.wikidata.org/wiki/Q188884","display_name":"Octahedron","level":3,"score":0.2921999990940094},{"id":"https://openalex.org/C127934551","wikidata":"https://www.wikidata.org/wiki/Q1148098","display_name":"Harmonic","level":2,"score":0.2881999909877777},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.2791000008583069},{"id":"https://openalex.org/C49040817","wikidata":"https://www.wikidata.org/wiki/Q193091","display_name":"Optoelectronics","level":1,"score":0.2773999869823456},{"id":"https://openalex.org/C2779782174","wikidata":"https://www.wikidata.org/wiki/Q2366155","display_name":"Ionic compound","level":4,"score":0.27459999918937683},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.2630000114440918},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.2596000134944916},{"id":"https://openalex.org/C193154288","wikidata":"https://www.wikidata.org/wiki/Q959336","display_name":"Direct and indirect band gaps","level":3,"score":0.2549000084400177},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.2533999979496002}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/acs.inorgchem.6c05021","doi":"https://doi.org/10.1021/acs.inorgchem.6c05021","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.inorgchem.6c05021","pdf_url":null,"source":{"id":"https://openalex.org/S171072222","display_name":"Inorganic Chemistry","issn_l":"0020-1669","issn":["0020-1669","1520-510X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Inorganic Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null},{"id":"https://openalex.org/F4320336025","display_name":"Science Challenge Project","ror":"https://ror.org/03m9a6y90"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":49,"referenced_works":["https://openalex.org/W2014068089","https://openalex.org/W2044595711","https://openalex.org/W2055222955","https://openalex.org/W2056877147","https://openalex.org/W2308469968","https://openalex.org/W2412048189","https://openalex.org/W2727380182","https://openalex.org/W2891430141","https://openalex.org/W2910351073","https://openalex.org/W2944751964","https://openalex.org/W2949828885","https://openalex.org/W2952473335","https://openalex.org/W2972094436","https://openalex.org/W2972329729","https://openalex.org/W2981254977","https://openalex.org/W2995116823","https://openalex.org/W3018384551","https://openalex.org/W3024467959","https://openalex.org/W3033717042","https://openalex.org/W3039664743","https://openalex.org/W3134034000","https://openalex.org/W3161463935","https://openalex.org/W3187159414","https://openalex.org/W3198077004","https://openalex.org/W3212431340","https://openalex.org/W4200319196","https://openalex.org/W4206444411","https://openalex.org/W4210249328","https://openalex.org/W4229004470","https://openalex.org/W4281666284","https://openalex.org/W4285118996","https://openalex.org/W4307266996","https://openalex.org/W4311917937","https://openalex.org/W4319456419","https://openalex.org/W4384663788","https://openalex.org/W4386759704","https://openalex.org/W4387397529","https://openalex.org/W4391230034","https://openalex.org/W4391893699","https://openalex.org/W4395043030","https://openalex.org/W4398150128","https://openalex.org/W4400366566","https://openalex.org/W4400590331","https://openalex.org/W4407963339","https://openalex.org/W4411195678","https://openalex.org/W4413435345","https://openalex.org/W4413963140","https://openalex.org/W4415251997","https://openalex.org/W7151244553"],"related_works":["https://openalex.org/W4281666284","https://openalex.org/W4200576894","https://openalex.org/W4400590331","https://openalex.org/W3029654146","https://openalex.org/W7202199346","https://openalex.org/W3033717042","https://openalex.org/W2327134957","https://openalex.org/W4386624346","https://openalex.org/W4372300588","https://openalex.org/W4281750728"],"abstract_inverted_index":{"Abstract":[0],"Designing":[1],"sulfide":[2],"compounds":[3],"with":[4],"noncentrosymmetric":[5,36,121],"structures":[6],"is":[7,80],"an":[8,23],"important":[9],"approach":[10],"for":[11,119,130],"the":[12,19,35,50,75,84,89,96,102],"development":[13],"of":[14,22,47],"functional":[15],"materials.":[16,134],"We":[17],"present":[18],"successful":[20],"preparation":[21],"unreported":[24],"quaternary":[25],"sulfide,":[26],"Na4SrP2S8,":[27],"through":[28],"high-temperature":[29],"solid-state":[30],"synthesis.":[31],"Na4SrP2S8":[32],"crystallizes":[33],"in":[34],"tetragonal":[37],"space":[38],"group":[39],"P4\u0305n2.":[40],"Alongside":[41],"a":[42,53,116,126],"wide":[43],"direct":[44],"band":[45],"gap":[46],"3.78":[48],"eV,":[49],"material":[51],"shows":[52],"moderate":[54],"phase-matchable":[55],"second-harmonic":[56],"generation":[57],"response":[58],"reaching":[59],"0.58":[60],"\u00d7":[61],"AgGaS2\u2500a":[62],"combination":[63],"that":[64,74],"ensures":[65],"excellent":[66],"resistance":[67],"to":[68],"two-photon":[69],"absorption.":[70],"First-principles":[71],"calculations":[72],"reveal":[73],"nonlinear":[76],"optical":[77],"(NLO)":[78],"performance":[79],"predominantly":[81],"governed":[82],"by":[83],"synergistic":[85],"covalent":[86],"interactions":[87,105],"within":[88],"high-dipole-moment":[90],"[PS4]":[91],"and":[92,98,123],"[NaS4]":[93],"units":[94],"(specifically":[95],"S\u2013P":[97],"Na\u2013S":[99],"bonds),":[100],"while":[101],"Sr-related":[103],"ionic":[104],"contribute":[106],"negligibly.":[107],"Overall,":[108],"this":[109],"study":[110],"validates":[111],"alkali-metal":[112],"cation":[113],"substitution":[114],"as":[115],"promising":[117,127],"strategy":[118],"constructing":[120],"chalcogenides,":[122],"also":[124],"provides":[125],"structural":[128],"prototype":[129],"high-performance":[131],"infrared":[132],"NLO":[133]},"counts_by_year":[],"updated_date":"2026-11-11T12:16:26.678958","created_date":"2026-11-10T00:00:00"}