Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides.
An accurate density-functional method is used to study systematically half-metallic ferromagnetism and stability of zincblende phases of 3d-transition-metal chalcogenides. The zincblende CrTe, CrSe, and VTe phases are found to be excellent half-metallic ferromagnets with large half-metallic gaps (up...
| Main Authors: | , , , |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
2003
|
| _version_ | 1797070435093839872 |
|---|---|
| author | Xie, W Xu, Y Liu, BG Pettifor, D |
| author_facet | Xie, W Xu, Y Liu, BG Pettifor, D |
| author_sort | Xie, W |
| collection | OXFORD |
| description | An accurate density-functional method is used to study systematically half-metallic ferromagnetism and stability of zincblende phases of 3d-transition-metal chalcogenides. The zincblende CrTe, CrSe, and VTe phases are found to be excellent half-metallic ferromagnets with large half-metallic gaps (up to 0.88 eV). They are mechanically stable and approximately 0.31-0.53 eV per formula unit higher in total energy than the corresponding nickel-arsenide ground-state phases, and therefore would be grown epitaxially in the form of films and layers thick enough for spintronic applications. |
| first_indexed | 2024-03-06T22:38:47Z |
| format | Journal article |
| id | oxford-uuid:5ad2f5d2-9b21-43ee-a8c7-f5766905e714 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T22:38:47Z |
| publishDate | 2003 |
| record_format | dspace |
| spelling | oxford-uuid:5ad2f5d2-9b21-43ee-a8c7-f5766905e7142022-03-26T17:18:12ZHalf-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:5ad2f5d2-9b21-43ee-a8c7-f5766905e714EnglishSymplectic Elements at Oxford2003Xie, WXu, YLiu, BGPettifor, DAn accurate density-functional method is used to study systematically half-metallic ferromagnetism and stability of zincblende phases of 3d-transition-metal chalcogenides. The zincblende CrTe, CrSe, and VTe phases are found to be excellent half-metallic ferromagnets with large half-metallic gaps (up to 0.88 eV). They are mechanically stable and approximately 0.31-0.53 eV per formula unit higher in total energy than the corresponding nickel-arsenide ground-state phases, and therefore would be grown epitaxially in the form of films and layers thick enough for spintronic applications. |
| spellingShingle | Xie, W Xu, Y Liu, BG Pettifor, D Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides. |
| title | Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides. |
| title_full | Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides. |
| title_fullStr | Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides. |
| title_full_unstemmed | Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides. |
| title_short | Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides. |
| title_sort | half metallic ferromagnetism and structural stability of zincblende phases of the transition metal chalcogenides |
| work_keys_str_mv | AT xiew halfmetallicferromagnetismandstructuralstabilityofzincblendephasesofthetransitionmetalchalcogenides AT xuy halfmetallicferromagnetismandstructuralstabilityofzincblendephasesofthetransitionmetalchalcogenides AT liubg halfmetallicferromagnetismandstructuralstabilityofzincblendephasesofthetransitionmetalchalcogenides AT pettiford halfmetallicferromagnetismandstructuralstabilityofzincblendephasesofthetransitionmetalchalcogenides |