{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,8]],"date-time":"2026-09-08T03:33:29Z","timestamp":1788838409852,"version":"build-2803163510"},"reference-count":51,"publisher":"MDPI AG","issue":"1","license":[{"start":{"date-parts":[[2021,12,22]],"date-time":"2021-12-22T00:00:00Z","timestamp":1640131200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100006261","name":"Taif University","doi-asserted-by":"publisher","award":["1-439-6068"],"award-info":[{"award-number":["1-439-6068"]}],"id":[{"id":"10.13039\/501100006261","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["www.mdpi.com"],"crossmark-restriction":true},"short-container-title":["Materials"],"abstract":"<jats:p>In ferromagnetic semiconductors, the coupling of magnetic ordering with semiconductor character accelerates the quantum computing. The structural stability, Curie temperature (Tc), spin polarization, half magnetic ferromagnetism and transport properties of ZnX2Se4 (X = Ti, V, Cr) chalcogenides for spintronic and thermoelectric applications are studied here by density functional theory (DFT). The highest value of Tc is perceived for ZnCr2Se4. The band structures in both spin channels confirmed half metallic ferromagnetic behavior, which is approved by integer magnetic moments (2, 3, 4) \u03bcB of Ti, V and Cr based spinels. The HM behavior is further measured by computing crystal field energy \u0394Ecrystal, exchange energies \u0394x(d), \u0394x (pd) and exchange constants (No\u03b1 and No\u03b2). The thermoelectric properties are addressed in terms of electrical conductivity, thermal conductivity, Seebeck coefficient and power factor in within a temperature range 0\u2013400 K. The positive Seebeck coefficient shows p-type character and the PF is highest for ZnTi2Se4 (1.2 \u00d7 1011 W\/mK2) among studied compounds.<\/jats:p>","DOI":"10.3390\/ma15010055","type":"journal-article","created":{"date-parts":[[2021,12,23]],"date-time":"2021-12-23T02:01:19Z","timestamp":1640224879000},"page":"55","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":23,"title":["Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX2Se4 (X = Ti, V, Cr) for Spintronic Applications"],"prefix":"10.3390","volume":"15","author":[{"given":"Mohsen","family":"Al-Qhtani","sequence":"first","affiliation":[{"name":"Materials Science and Engineering Group, Department of Chemistry, Faculty of Science, Taif University, Taif 21944, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ghulam","family":"Mustafa","sequence":"additional","affiliation":[{"name":"Department of Physics, Division of Science & Technology, University of Education, Lahore 54000, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nasheeta","family":"Mazhar","sequence":"additional","affiliation":[{"name":"Department of Physics, University of Lahore, Lahore 05422, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sonia","family":"Bouzgarrou","sequence":"additional","affiliation":[{"name":"Laboratoire de Micro\u00e9lectronique et Instrumentation (UR 03\/13\u201304), Facult\u00e9 des Sciences de Monastir, Avenue de l\u2019Environnement, Monastir 5000, Tunisia"},{"name":"Department of Physics, College of Science, Qassim University, P.O. Box 64, Buraydah 51452, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7449-5876","authenticated-orcid":false,"given":"Qasim","family":"Mahmood","sequence":"additional","affiliation":[{"name":"Basic and Applied Scientific Research Center, Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia"},{"name":"Department of Physics, College of Science, Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abeer","family":"Mera","sequence":"additional","affiliation":[{"name":"Department of Physics, College of Arts and Science, Prince Sattam Bin Abdulaziz University, Wadi Addawasir 11991, Saudi Arabia"},{"name":"Department of Physics, Faculty of Science, Kafrelsheikh University, Kafrelsheikh 33516, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zaki","family":"Zaki","sequence":"additional","affiliation":[{"name":"Materials Science and Engineering Group, Department of Chemistry, Faculty of Science, Taif University, Taif 21944, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4346-8976","authenticated-orcid":false,"given":"Nasser","family":"Mostafa","sequence":"additional","affiliation":[{"name":"Materials Science and Engineering Group, Department of Chemistry, Faculty of Science, Taif University, Taif 21944, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8144-2067","authenticated-orcid":false,"given":"Saad","family":"Alotaibi","sequence":"additional","affiliation":[{"name":"Materials Science and Engineering Group, Department of Chemistry, Faculty of Science, Taif University, Taif 21944, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohammed","family":"Amin","sequence":"additional","affiliation":[{"name":"Materials Science and Engineering Group, Department of Chemistry, Faculty of Science, Taif University, Taif 21944, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2021,12,22]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"1011","DOI":"10.1007\/s10904-019-01331-9","article-title":"Synthesis, characterization, and potential applications of transition metal nanoparticles","volume":"30","author":"Cid","year":"2020","journal-title":"J. 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