Electronic structure and Magnetism in BaMn$_2$As$_2$ and BaMn$_2$Sb$_2$
| dc.creator | an, J. | |
| dc.creator | Sefat, A. S. | |
| dc.creator | Singh, D. J. | |
| dc.creator | Du, M. H. | |
| dc.date | 2009-01-02 | |
| dc.date | 2009-01-15 | |
| dc.date.accessioned | 2026-07-07T12:46:07Z | |
| dc.date.available | 2026-07-07T12:46:07Z | |
| dc.description | We study the properties of ThCr$_2$Si$_2$ structure BaMn$_2$As$_2$ and BaMn$_2$Sb$_2$ using density functional calculations of the electronic and magnetic as well experimental measurements on single crystal samples of BaMn$_2$As$_2$. These materials are local moment magnets with moderate band gap antiferromagnetic semiconducting ground states. The electronic structures show substantial Mn - pnictogen hybridization, which stabilizes an intermediate spin configuration for the nominally $d^5$ Mn. The results are discussed in the context of possible thermoelectric applications and the relationship with the corresponding iron / cobalt / nickel compounds Ba(Fe,Co,Ni)$_2$As$_2$. | |
| dc.identifier | https://arxiv.org/abs/0901.0272 | |
| dc.identifier | http://arxiv.org/abs/0901.0272 | |
| dc.identifier | Physical Review B 79, 075120 (2009). | |
| dc.identifier | doi:10.1103/PhysRevB.79.075120 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/221272 | |
| dc.subject | Materials Science | |
| dc.title | Electronic structure and Magnetism in BaMn$_2$As$_2$ and BaMn$_2$Sb$_2$ | |
| dc.type | text |