| Title | = 1) |
| Publication Type | Journal Article |
| Year of Publication | 2014 |
| Authors | Samal, SL, Pandey, A, Johnston, DC, Corbett, JD, Miller, GJ |
| Journal | Chemistry of Materials |
| Volume | 26 |
| Pagination | 3209-3218 |
| Date Published | 05 |
| Type of Article | Article |
| ISBN Number | 0897-4756 |
| Accession Number | WOS:000336637000025 |
| Keywords | au, compound, phases, sodium, substitution, system, tunnels |
| Abstract | using the local spin density approximation indicate a similar to 1 eV splitting of the Mn 3d states with nearly filled majority spin states and partially filled minority spin states at the Fermi level resulting in approximately four unpaired electrons per Mn atom in the metallic ground state. The crystal orbital Hamilton population analyses demonstrate that similar to 94% of the total Hamilton populations originate from Au-Au and polar Mn-Au and Y-Au bonding. |
| DOI | 10.1021/cm500871c |
| Custom 1 | Innovative Materials |
| Custom 2 | Complex States |
