Electronic, magnetic, and structural properties of V2CoAl: Experimental and computational study
Here, we present results of combined experimental and computations study of V2CoAl, a Heusler alloy that exhibits nearly perfect spin-polarization. Our calculations indicate that this material maintains a high degree of spin-polarization (over 90%) in the wide range of lattice parameters, except at...
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2025-03-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/9.0000851 |
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| author | Parashu Kharel Cole Brown Brandon Schmidt Caden Sadler Salimatou Diallo Mohd Anas Paul M. Shand Pavel V. Lukashev |
| author_facet | Parashu Kharel Cole Brown Brandon Schmidt Caden Sadler Salimatou Diallo Mohd Anas Paul M. Shand Pavel V. Lukashev |
| author_sort | Parashu Kharel |
| collection | DOAJ |
| description | Here, we present results of combined experimental and computations study of V2CoAl, a Heusler alloy that exhibits nearly perfect spin-polarization. Our calculations indicate that this material maintains a high degree of spin-polarization (over 90%) in the wide range of lattice parameters, except at the largest considered unit cell volume. The magnetic alignment of V2CoAl is ferrimagnetic, due to the antialignment of the magnetic moments of vanadium atoms in their two sublattices. The calculated total magnetic moment per formula unit is nearly integer at the optimal lattice parameter and at the smaller volumes of the unit cell, but it deviated from the integer values as the unit cell expands. This is consistent with the calculated variation in the degree of spin polarization with lattice constant. The expected ferrimagnetic behavior has been observed in the arc-melted V2CoAl sample, with a Curie temperature of about 80 K. However, the saturation magnetization is significantly smaller than the theoretical prediction of ∼2 μB/f.u., most likely due to the observed B2-type atomic disorder. The samples exhibit metallic electron transport across the measurement range of 2 K to 300 K. |
| format | Article |
| id | doaj-art-d4f1fb5d6aa44aaca0e131e5e468bd77 |
| institution | DOAJ |
| issn | 2158-3226 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj-art-d4f1fb5d6aa44aaca0e131e5e468bd772025-08-20T03:03:07ZengAIP Publishing LLCAIP Advances2158-32262025-03-01153035206035206-610.1063/9.0000851Electronic, magnetic, and structural properties of V2CoAl: Experimental and computational studyParashu Kharel0Cole Brown1Brandon Schmidt2Caden Sadler3Salimatou Diallo4Mohd Anas5Paul M. Shand6Pavel V. Lukashev7Department of Chemistry, Biochemistry and Physics, South Dakota State University, Brookings, South Dakota 57007, USADepartment of Chemistry, Biochemistry and Physics, South Dakota State University, Brookings, South Dakota 57007, USADepartment of Physics, University of Northern Iowa, Cedar Falls, Iowa 50614, USADepartment of Physics, University of Northern Iowa, Cedar Falls, Iowa 50614, USADepartment of Physics, University of Northern Iowa, Cedar Falls, Iowa 50614, USADepartment of Chemistry, Biochemistry and Physics, South Dakota State University, Brookings, South Dakota 57007, USADepartment of Physics, University of Northern Iowa, Cedar Falls, Iowa 50614, USADepartment of Physics, University of Northern Iowa, Cedar Falls, Iowa 50614, USAHere, we present results of combined experimental and computations study of V2CoAl, a Heusler alloy that exhibits nearly perfect spin-polarization. Our calculations indicate that this material maintains a high degree of spin-polarization (over 90%) in the wide range of lattice parameters, except at the largest considered unit cell volume. The magnetic alignment of V2CoAl is ferrimagnetic, due to the antialignment of the magnetic moments of vanadium atoms in their two sublattices. The calculated total magnetic moment per formula unit is nearly integer at the optimal lattice parameter and at the smaller volumes of the unit cell, but it deviated from the integer values as the unit cell expands. This is consistent with the calculated variation in the degree of spin polarization with lattice constant. The expected ferrimagnetic behavior has been observed in the arc-melted V2CoAl sample, with a Curie temperature of about 80 K. However, the saturation magnetization is significantly smaller than the theoretical prediction of ∼2 μB/f.u., most likely due to the observed B2-type atomic disorder. The samples exhibit metallic electron transport across the measurement range of 2 K to 300 K.http://dx.doi.org/10.1063/9.0000851 |
| spellingShingle | Parashu Kharel Cole Brown Brandon Schmidt Caden Sadler Salimatou Diallo Mohd Anas Paul M. Shand Pavel V. Lukashev Electronic, magnetic, and structural properties of V2CoAl: Experimental and computational study AIP Advances |
| title | Electronic, magnetic, and structural properties of V2CoAl: Experimental and computational study |
| title_full | Electronic, magnetic, and structural properties of V2CoAl: Experimental and computational study |
| title_fullStr | Electronic, magnetic, and structural properties of V2CoAl: Experimental and computational study |
| title_full_unstemmed | Electronic, magnetic, and structural properties of V2CoAl: Experimental and computational study |
| title_short | Electronic, magnetic, and structural properties of V2CoAl: Experimental and computational study |
| title_sort | electronic magnetic and structural properties of v2coal experimental and computational study |
| url | http://dx.doi.org/10.1063/9.0000851 |
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