Salvato in:
| Autori principali: | , , , , , , |
|---|---|
| Natura: | Preprint |
| Pubblicazione: |
2025
|
| Soggetti: | |
| Accesso online: | https://arxiv.org/abs/2506.23993 |
| Tags: |
Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne!!
|
| _version_ | 1866908428312510464 |
|---|---|
| author | Joshi, Himanshu Dewan, Shradhanjali Kima, Lalrin Lalremtluanga, Aldrin Luitel, Homnath Bhamu, K. C. Rai, D. P. |
| author_facet | Joshi, Himanshu Dewan, Shradhanjali Kima, Lalrin Lalremtluanga, Aldrin Luitel, Homnath Bhamu, K. C. Rai, D. P. |
| contents | This study provides a first-principles insight into half-Heusler CrMnSb to understand its deviation from the conventional Slater-Pauling semiconducting behavior. CrMnSb, having a valence electron count of 18, has been proposed to exhibit compensated ferrimagnetic character instead of the expected nonmagnetic semiconducting ground state. As half-Heusler systems with a valence electron count of 18 are not known to exhibit magnetic ordering, we have investigated the electronic and magnetic properties of CrMnSb using a combination of density functional theory and Green's function-based multiple-scattering theory. We show that, despite satisfying the 18 valence electron Slater-Pauling rule, CrMnSb does not exhibit ground-state nonmagnetic semiconducting behavior. Instead, it reveals a half-metallic, fully compensated ferrimagnetic ground state. This anomaly originates from the presence of localized sublattice moments, resulting from antiparallel alignment between Cr and Mn sublattices, which enforces half-metallic ferrimagnetism despite its ideal 18 valence electron count. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2506_23993 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Half-metallicity and anomalous Slater-Pauling behaviour in half-Heusler CrMnSb Joshi, Himanshu Dewan, Shradhanjali Kima, Lalrin Lalremtluanga, Aldrin Luitel, Homnath Bhamu, K. C. Rai, D. P. Materials Science Computational Physics This study provides a first-principles insight into half-Heusler CrMnSb to understand its deviation from the conventional Slater-Pauling semiconducting behavior. CrMnSb, having a valence electron count of 18, has been proposed to exhibit compensated ferrimagnetic character instead of the expected nonmagnetic semiconducting ground state. As half-Heusler systems with a valence electron count of 18 are not known to exhibit magnetic ordering, we have investigated the electronic and magnetic properties of CrMnSb using a combination of density functional theory and Green's function-based multiple-scattering theory. We show that, despite satisfying the 18 valence electron Slater-Pauling rule, CrMnSb does not exhibit ground-state nonmagnetic semiconducting behavior. Instead, it reveals a half-metallic, fully compensated ferrimagnetic ground state. This anomaly originates from the presence of localized sublattice moments, resulting from antiparallel alignment between Cr and Mn sublattices, which enforces half-metallic ferrimagnetism despite its ideal 18 valence electron count. |
| title | Half-metallicity and anomalous Slater-Pauling behaviour in half-Heusler CrMnSb |
| topic | Materials Science Computational Physics |
| url | https://arxiv.org/abs/2506.23993 |