{"id":"https://openalex.org/W7213529790","doi":"https://doi.org/10.48550/arxiv.2609.18113","title":"Nitrogen based electride superconductor Nb5Ir3N under pressure: multifunctional physical properties from DFT based first-principles investigation","display_name":"Nitrogen based electride superconductor Nb5Ir3N under pressure: multifunctional physical properties from DFT based first-principles investigation","publication_year":2026,"publication_date":"2026-09-16","ids":{"openalex":"https://openalex.org/W7213529790","doi":"https://doi.org/10.48550/arxiv.2609.18113"},"language":"en","primary_location":{"id":"pmh:oai:arXiv.org:2609.18113","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2609.18113","pdf_url":"https://arxiv.org/pdf/2609.18113","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"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":"text"},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":["arxiv","datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/2609.18113","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5063124493","display_name":"M.A.H. Shah","orcid":"https://orcid.org/0000-0003-1084-0356","observed_orcids":["https://orcid.org/0000-0003-1084-0356"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Shah, M. Abdul Hadi","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5152014864","display_name":"J. H. Abir","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I902853133","display_name":"University of Rajshahi","ror":"https://ror.org/05nnyr510","country_code":"BD","type":"education","lineage":["https://openalex.org/I902853133"]}],"countries":["BD"],"is_corresponding":false,"raw_author_name":"Abir, J. H.","raw_affiliation_strings":["Department of Physics , University of Rajshahi , Rajshahi 6205 , Bangladesh"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics , University of Rajshahi , Rajshahi 6205 , Bangladesh","institution_ids":["https://openalex.org/I902853133"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5011041334","display_name":"S. H. Naqib","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I902853133","display_name":"University of Rajshahi","ror":"https://ror.org/05nnyr510","country_code":"BD","type":"education","lineage":["https://openalex.org/I902853133"]}],"countries":["BD"],"is_corresponding":false,"raw_author_name":"Naqib, S. H.","raw_affiliation_strings":["Department of Physics , University of Rajshahi , Rajshahi 6205 , Bangladesh"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics , University of Rajshahi , Rajshahi 6205 , Bangladesh","institution_ids":["https://openalex.org/I902853133"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":null,"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/T10413","display_name":"High-pressure geophysics and materials","score":0.5321999788284302,"subfield":{"id":"https://openalex.org/subfields/1908","display_name":"Geophysics"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10413","display_name":"High-pressure geophysics and materials","score":0.5321999788284302,"subfield":{"id":"https://openalex.org/subfields/1908","display_name":"Geophysics"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10037","display_name":"Physics of Superconductivity and Magnetism","score":0.1378999948501587,"subfield":{"id":"https://openalex.org/subfields/3104","display_name":"Condensed Matter Physics"},"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/T12557","display_name":"Inorganic Chemistry and Materials","score":0.12630000710487366,"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/high-pressure","display_name":"high pressure","score":0.8169999718666077},{"id":"https://openalex.org/keywords/elastic-constants","display_name":"elastic constants","score":0.7689999938011169},{"id":"https://openalex.org/keywords/elastic-anisotropy","display_name":"elastic anisotropy","score":0.8659999966621399},{"id":"https://openalex.org/keywords/mechanical-stability","display_name":"mechanical stability","score":0.6869999766349792},{"id":"https://openalex.org/keywords/phonon-stability","display_name":"phonon stability","score":0.8389999866485596},{"id":"https://openalex.org/keywords/band-structure","display_name":"electronic band structure","score":0.8820000290870667},{"id":"https://openalex.org/keywords/spin-orbit-coupling","display_name":"spin-orbit coupling","score":0.9020000100135803},{"id":"https://openalex.org/keywords/optical-properties","display_name":"optical properties","score":0.8759999871253967},{"id":"https://openalex.org/keywords/pressure-induced-superconductivity","display_name":"pressure-induced superconductivity","score":0.8360000252723694},{"id":"https://openalex.org/keywords/enthalpy-of-formation","display_name":"enthalpy of formation","score":0.7770000100135803}],"concepts":[{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.7145000100135803},{"id":"https://openalex.org/C54101563","wikidata":"https://www.wikidata.org/wiki/Q124131","display_name":"Superconductivity","level":2,"score":0.6834999918937683},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.6758000254631042},{"id":"https://openalex.org/C143895478","wikidata":"https://www.wikidata.org/wiki/Q789775","display_name":"Ambient pressure","level":2,"score":0.6614999771118164},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.6432999968528748},{"id":"https://openalex.org/C85725439","wikidata":"https://www.wikidata.org/wiki/Q466686","display_name":"Anisotropy","level":2,"score":0.6292999982833862},{"id":"https://openalex.org/C64452783","wikidata":"https://www.wikidata.org/wiki/Q1524945","display_name":"Ternary operation","level":2,"score":0.524399995803833},{"id":"https://openalex.org/C43486711","wikidata":"https://www.wikidata.org/wiki/Q192005","display_name":"Elastic modulus","level":2,"score":0.4595000147819519},{"id":"https://openalex.org/C24169881","wikidata":"https://www.wikidata.org/wiki/Q186608","display_name":"Phonon","level":2,"score":0.40880000591278076},{"id":"https://openalex.org/C181966813","wikidata":"https://www.wikidata.org/wiki/Q806352","display_name":"Band gap","level":2,"score":0.3903999924659729},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.38929998874664307},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.3889000117778778},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.38609999418258667},{"id":"https://openalex.org/C131584629","wikidata":"https://www.wikidata.org/wiki/Q4308705","display_name":"Coupling (piping)","level":2,"score":0.38100001215934753},{"id":"https://openalex.org/C137637335","wikidata":"https://www.wikidata.org/wiki/Q899604","display_name":"Crystallite","level":2,"score":0.35089999437332153},{"id":"https://openalex.org/C53964469","wikidata":"https://www.wikidata.org/wiki/Q230895","display_name":"Density of states","level":2,"score":0.350600004196167},{"id":"https://openalex.org/C125469278","wikidata":"https://www.wikidata.org/wiki/Q806380","display_name":"Electronic band structure","level":2,"score":0.3230000138282776},{"id":"https://openalex.org/C174256460","wikidata":"https://www.wikidata.org/wiki/Q911364","display_name":"Perturbation theory (quantum mechanics)","level":2,"score":0.30230000615119934},{"id":"https://openalex.org/C183276030","wikidata":"https://www.wikidata.org/wiki/Q1193095","display_name":"Coupling constant","level":2,"score":0.2775999903678894},{"id":"https://openalex.org/C32891209","wikidata":"https://www.wikidata.org/wiki/Q483666","display_name":"Spectroscopy","level":2,"score":0.27639999985694885},{"id":"https://openalex.org/C194760766","wikidata":"https://www.wikidata.org/wiki/Q410851","display_name":"Nitride","level":3,"score":0.27390000224113464},{"id":"https://openalex.org/C2776798109","wikidata":"https://www.wikidata.org/wiki/Q11391","display_name":"Ultraviolet","level":2,"score":0.2711000144481659},{"id":"https://openalex.org/C121854251","wikidata":"https://www.wikidata.org/wiki/Q62932","display_name":"Elasticity (physics)","level":2,"score":0.26499998569488525}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:arXiv.org:2609.18113","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2609.18113","pdf_url":"https://arxiv.org/pdf/2609.18113","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"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":"text"},{"id":"doi:10.48550/arxiv.2609.18113","doi":"https://doi.org/10.48550/arxiv.2609.18113","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2609.18113","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:2609.18113","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2609.18113","pdf_url":"https://arxiv.org/pdf/2609.18113","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"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":"text"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G3764773195","display_name":null,"funder_award_id":"1151/5/52/RU/Science-07/19-20","funder_id":"https://openalex.org/F4320329409","funder_display_name":"Rajshahi University"}],"funders":[{"id":"https://openalex.org/F4320329409","display_name":"Rajshahi University","ror":"https://ror.org/05nnyr510"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7213529790.pdf","grobid_xml":"https://content.openalex.org/works/W7213529790.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W4397292101","https://openalex.org/W4385740880","https://openalex.org/W4308263974","https://openalex.org/W2744721183","https://openalex.org/W2051950611","https://openalex.org/W7202297370","https://openalex.org/W3042643555","https://openalex.org/W2022398412","https://openalex.org/W2013644121","https://openalex.org/W2075877867"],"abstract_inverted_index":{"Discovery":[0],"and":[1,22,59,74,82,96,135,142,170,178],"study":[2],"of":[3,63,85,110,125,137],"superconducting":[4,186],"electrides":[5],"have":[6],"opened":[7],"new":[8],"avenues":[9],"in":[10,108,162],"condensed":[11],"matter":[12],"physics,":[13],"driven":[14],"by":[15],"their":[16,57],"intriguing":[17],"multifunctional":[18],"features":[19,187],"spanning":[20],"ambient":[21],"high-pressure":[23],"regimes.":[24],"This":[25],"work":[26],"investigates":[27],"the":[28,53,61,78,88,123,152,163],"ternary":[29],"nitride":[30],"superconductor":[31],"Nb5Ir3N":[32,86,119],"under":[33],"pressure":[34,90,130],"ranging":[35],"from":[36],"0":[37],"to":[38,147],"20":[39],"GPa":[40],"via":[41],"density":[42,136],"functional":[43],"theory":[44],"based":[45],"simulations.":[46],"Estimated":[47],"structural":[48],"parameters":[49],"agree":[50],"well":[51],"with":[52,70,122,141],"available":[54],"data,":[55],"confirming":[56],"reliability":[58],"supporting":[60],"validity":[62],"this":[64],"analysis.":[65],"Negative":[66],"formation":[67],"enthalpy,":[68],"together":[69],"evaluated":[71],"elastic":[72,94,98],"constants":[73,95],"phonon":[75],"spectra,":[76],"confirm":[77],"structural,":[79],"thermodynamic,":[80],"mechanical,":[81],"dynamical":[83],"stability":[84],"over":[87],"entire":[89],"range.":[91],"Pressure":[92,184],"dependent":[93],"polycrystalline":[97],"moduli":[99],"are":[100,139,188],"investigated.":[101],"The":[102,173],"compound":[103],"is":[104],"categorized":[105],"as":[106,129],"ductile":[107],"light":[109],"estimated":[111],"mechanical":[112],"indices.":[113],"Elastic":[114],"anisotropy":[115,126,177],"factors":[116],"indicate":[117],"that":[118],"remains":[120],"anisotropic,":[121],"degree":[124],"gradually":[127],"decreasing":[128],"increases.":[131],"Electronic":[132],"band":[133],"structure":[134],"states":[138],"calculated":[140],"without":[143],"spin":[144],"orbit":[145],"coupling":[146],"investigate":[148],"its":[149],"influence":[150],"on":[151],"electronic":[153],"structure.":[154],"Calculated":[155],"optical":[156,176],"response":[157],"reveals":[158],"substantial":[159],"intraband":[160],"contributions":[161],"low":[164],"energy":[165],"region,":[166],"intense":[167],"ultraviolet":[168],"absorption,":[169],"strong":[171],"reflectivity.":[172],"spectra":[174],"exhibit":[175],"a":[179],"broadening":[180],"at":[181],"higher":[182],"pressures.":[183],"induced":[185],"also":[189],"discussed":[190],"qualitatively.":[191]},"counts_by_year":[],"updated_date":"2026-10-28T10:33:24.094632","created_date":"2026-09-18T00:00:00"}