Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX<sub>2</sub>Se<sub>4</sub> (X = Ti, V, Cr) for Spintronic Applications
In ferromagnetic semiconductors, the coupling of magnetic ordering with semiconductor character accelerates the quantum computing. The structural stability, Curie temperature (T<sub>c</sub>), spin polarization, half magnetic ferromagnetism and transport properties of ZnX<sub>2</...
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| author | Mohsen Al-Qhtani Ghulam M. Mustafa Nasheeta Mazhar Sonia Bouzgarrou Qasim Mahmood Abeer Mera Zaki I. Zaki Nasser Y. Mostafa Saad H. Alotaibi Mohammed A. Amin |
| author_facet | Mohsen Al-Qhtani Ghulam M. Mustafa Nasheeta Mazhar Sonia Bouzgarrou Qasim Mahmood Abeer Mera Zaki I. Zaki Nasser Y. Mostafa Saad H. Alotaibi Mohammed A. Amin |
| author_sort | Mohsen Al-Qhtani |
| collection | DOAJ |
| description | In ferromagnetic semiconductors, the coupling of magnetic ordering with semiconductor character accelerates the quantum computing. The structural stability, Curie temperature (T<sub>c</sub>), spin polarization, half magnetic ferromagnetism and transport properties of ZnX<sub>2</sub>Se<sub>4</sub> (X = Ti, V, Cr) chalcogenides for spintronic and thermoelectric applications are studied here by density functional theory (DFT). The highest value of T<sub>c</sub> is perceived for ZnCr<sub>2</sub>Se<sub>4</sub>. The band structures in both spin channels confirmed half metallic ferromagnetic behavior, which is approved by integer magnetic moments (2, 3, 4) μ<sub>B</sub> of Ti, V and Cr based spinels. The HM behavior is further measured by computing crystal field energy <inline-formula><math display="inline"><semantics><mrow><mo>Δ</mo><mi>E</mi></mrow></semantics></math></inline-formula><sub>crystal</sub>, exchange energies <inline-formula><math display="inline"><semantics><mo>Δ</mo></semantics></math></inline-formula><sub>x</sub>(<i>d</i>), <inline-formula><math display="inline"><semantics><mo>Δ</mo></semantics></math></inline-formula><sub>x</sub> (<i>pd</i>) and exchange constants (N<sub>o</sub><inline-formula><math display="inline"><semantics><mi>α</mi></semantics></math></inline-formula> and N<sub>o</sub><inline-formula><math display="inline"><semantics><mi>β</mi></semantics></math></inline-formula>). The thermoelectric properties are addressed in terms of electrical conductivity, thermal conductivity, Seebeck coefficient and power factor in within a temperature range 0–400 K. The positive Seebeck coefficient shows p-type character and the PF is highest for ZnTi2Se4 (1.2 × 10<sup>11</sup> W/mK<sup>2</sup>) among studied compounds. |
| first_indexed | 2024-03-10T03:35:18Z |
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| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-03-10T03:35:18Z |
| publishDate | 2021-12-01 |
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| spelling | doaj.art-fe3ee7c45f6c4b5cb38f6bee90a51bc82023-11-23T11:47:23ZengMDPI AGMaterials1996-19442021-12-011515510.3390/ma15010055Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX<sub>2</sub>Se<sub>4</sub> (X = Ti, V, Cr) for Spintronic ApplicationsMohsen Al-Qhtani0Ghulam M. Mustafa1Nasheeta Mazhar2Sonia Bouzgarrou3Qasim Mahmood4Abeer Mera5Zaki I. Zaki6Nasser Y. Mostafa7Saad H. Alotaibi8Mohammed A. Amin9Materials Science and Engineering Group, Department of Chemistry, Faculty of Science, Taif University, Taif 21944, Saudi ArabiaDepartment of Physics, Division of Science & Technology, University of Education, Lahore 54000, PakistanDepartment of Physics, University of Lahore, Lahore 05422, PakistanLaboratoire de Microélectronique et Instrumentation (UR 03/13–04), Faculté des Sciences de Monastir, Avenue de l’Environnement, Monastir 5000, TunisiaBasic and Applied Scientific Research Center, Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi ArabiaDepartment of Physics, College of Arts and Science, Prince Sattam Bin Abdulaziz University, Wadi Addawasir 11991, Saudi ArabiaMaterials Science and Engineering Group, Department of Chemistry, Faculty of Science, Taif University, Taif 21944, Saudi ArabiaMaterials Science and Engineering Group, Department of Chemistry, Faculty of Science, Taif University, Taif 21944, Saudi ArabiaMaterials Science and Engineering Group, Department of Chemistry, Faculty of Science, Taif University, Taif 21944, Saudi ArabiaMaterials Science and Engineering Group, Department of Chemistry, Faculty of Science, Taif University, Taif 21944, Saudi ArabiaIn ferromagnetic semiconductors, the coupling of magnetic ordering with semiconductor character accelerates the quantum computing. The structural stability, Curie temperature (T<sub>c</sub>), spin polarization, half magnetic ferromagnetism and transport properties of ZnX<sub>2</sub>Se<sub>4</sub> (X = Ti, V, Cr) chalcogenides for spintronic and thermoelectric applications are studied here by density functional theory (DFT). The highest value of T<sub>c</sub> is perceived for ZnCr<sub>2</sub>Se<sub>4</sub>. The band structures in both spin channels confirmed half metallic ferromagnetic behavior, which is approved by integer magnetic moments (2, 3, 4) μ<sub>B</sub> of Ti, V and Cr based spinels. The HM behavior is further measured by computing crystal field energy <inline-formula><math display="inline"><semantics><mrow><mo>Δ</mo><mi>E</mi></mrow></semantics></math></inline-formula><sub>crystal</sub>, exchange energies <inline-formula><math display="inline"><semantics><mo>Δ</mo></semantics></math></inline-formula><sub>x</sub>(<i>d</i>), <inline-formula><math display="inline"><semantics><mo>Δ</mo></semantics></math></inline-formula><sub>x</sub> (<i>pd</i>) and exchange constants (N<sub>o</sub><inline-formula><math display="inline"><semantics><mi>α</mi></semantics></math></inline-formula> and N<sub>o</sub><inline-formula><math display="inline"><semantics><mi>β</mi></semantics></math></inline-formula>). The thermoelectric properties are addressed in terms of electrical conductivity, thermal conductivity, Seebeck coefficient and power factor in within a temperature range 0–400 K. The positive Seebeck coefficient shows p-type character and the PF is highest for ZnTi2Se4 (1.2 × 10<sup>11</sup> W/mK<sup>2</sup>) among studied compounds.https://www.mdpi.com/1996-1944/15/1/55Zn based chalcogenidesdensity functional theoryhalf metallic ferromagnetismtransport properties |
| spellingShingle | Mohsen Al-Qhtani Ghulam M. Mustafa Nasheeta Mazhar Sonia Bouzgarrou Qasim Mahmood Abeer Mera Zaki I. Zaki Nasser Y. Mostafa Saad H. Alotaibi Mohammed A. Amin Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX<sub>2</sub>Se<sub>4</sub> (X = Ti, V, Cr) for Spintronic Applications Materials Zn based chalcogenides density functional theory half metallic ferromagnetism transport properties |
| title | Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX<sub>2</sub>Se<sub>4</sub> (X = Ti, V, Cr) for Spintronic Applications |
| title_full | Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX<sub>2</sub>Se<sub>4</sub> (X = Ti, V, Cr) for Spintronic Applications |
| title_fullStr | Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX<sub>2</sub>Se<sub>4</sub> (X = Ti, V, Cr) for Spintronic Applications |
| title_full_unstemmed | Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX<sub>2</sub>Se<sub>4</sub> (X = Ti, V, Cr) for Spintronic Applications |
| title_short | Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX<sub>2</sub>Se<sub>4</sub> (X = Ti, V, Cr) for Spintronic Applications |
| title_sort | half metallic ferromagnetism and transport properties of zinc chalcogenides znx sub 2 sub se sub 4 sub x ti v cr for spintronic applications |
| topic | Zn based chalcogenides density functional theory half metallic ferromagnetism transport properties |
| url | https://www.mdpi.com/1996-1944/15/1/55 |
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