{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,13]],"date-time":"2025-12-13T16:22:11Z","timestamp":1765642931061,"version":"3.48.0"},"reference-count":30,"publisher":"IOP Publishing","issue":"2","license":[{"start":{"date-parts":[[2019,10,18]],"date-time":"2019-10-18T00:00:00Z","timestamp":1571356800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/publishingsupport.iopscience.iop.org\/iop-standard\/v1"},{"start":{"date-parts":[[2019,10,18]],"date-time":"2019-10-18T00:00:00Z","timestamp":1571356800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/iopscience.iop.org\/info\/page\/text-and-data-mining"}],"funder":[{"DOI":"10.13039\/100000181","name":"Air Force Office of Scientific Research","doi-asserted-by":"crossref","award":["FA9550-17-1-0312"],"award-info":[{"award-number":["FA9550-17-1-0312"]}],"id":[{"id":"10.13039\/100000181","id-type":"DOI","asserted-by":"crossref"}]},{"name":"National Science Foundation","award":["DMR-1523588"],"award-info":[{"award-number":["DMR-1523588"]}]}],"content-domain":{"domain":["iopscience.iop.org"],"crossmark-restriction":false},"short-container-title":["J. Phys.: Condens. Matter"],"published-print":{"date-parts":[[2020,1,9]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    We have carried out density-functional theory (DFT) calculations for the chromium pnictide BaCr\n                    <jats:sub>2<\/jats:sub>\n                    P\n                    <jats:sub>2<\/jats:sub>\n                    , which is structurally analogous to BaFe\n                    <jats:sub>2<\/jats:sub>\n                    As\n                    <jats:sub>2<\/jats:sub>\n                    , a parent compound for iron-pnictide superconductors. Evolutionary methods combined with DFT predict that the chromium analog has the same crystal structure as the latter. DFT also predicts N\u00e9el antiferromagnetic order on the chromium sites. Comparison with a simple electron-hopping model over a square lattice of chromium atoms suggests that it is due to residual nesting of the Fermi surfaces. We have confirmed the DFT predictions directly after the successful synthesis of polycrystalline samples of BaCr\n                    <jats:sub>2<\/jats:sub>\n                    P\n                    <jats:sub>2<\/jats:sub>\n                    . X-ray diffraction recovers the predicted crystal structure to high accuracy, while magnetic susceptibility and specific-heat measurements are consistent with a transition to an antiferromagnetically ordered state below\n                    <jats:inline-formula\/>\n                    K.\n                  <\/jats:p>","DOI":"10.1088\/1361-648x\/ab45dc","type":"journal-article","created":{"date-parts":[[2019,9,18]],"date-time":"2019-09-18T18:45:28Z","timestamp":1568832328000},"page":"025502","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":2,"title":["Prediction of antiferromagnetism in barium chromium phosphide confirmed after synthesis"],"prefix":"10.1088","volume":"32","author":[{"given":"R A","family":"Jishi","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5169-6883","authenticated-orcid":false,"given":"J P","family":"Rodriguez","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"T J","family":"Haugan","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"M A","family":"Susner","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"266","published-online":{"date-parts":[[2019,10,18]]},"reference":[{"key":"cmab45dcbib001","doi-asserted-by":"publisher","first-page":"3296","DOI":"10.1021\/ja800073m","type":"journal-article","volume":"130","author":"Kamihara","year":"2008","journal-title":"J. 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All rights, including for text and data mining, AI training, and similar technologies, are reserved.","name":"copyright_information","label":"Copyright Information"},{"value":"2019-06-13","name":"date_received","label":"Date Received","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2019-09-18","name":"date_accepted","label":"Date Accepted","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2019-10-18","name":"date_epub","label":"Online publication date","group":{"name":"publication_dates","label":"Publication dates"}}]}}