| Start Date: | 11/12/2014 | Start Time: | 3:00 PM |
| End Date: | 11/12/2014 | End Time: | 3:30 PM |
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Event Description
Sanjubala Sahoo, PhD, Virginia Commonwealth University
Theoretical investigations have been performed for the magnetic anisotropy as well as the orbital and spin magnetic moments of free and graphene-supported 13-atom 3d-transition metal clusters (Fe, Co, Ni) in the frame work of density functional theory. Our studies on free clusters show tendencies of small structural distortions which are characterized as Jahn-Teller (JT) or Mackay transformations (MT). The magnetic anisotropy energy (MAE) is modeled using a N ́eel Hamiltonian. We observed that the MAE of JT-distorted clusters are relatively larger compared to that of the Mackay (MT) distorted clusters. Among the supported clusters the main focus is on Co13 on graphene, where we have explored the role of graphene support on the MAE of clusters. Our studies show that graphene support significantly enhances the MAE of Co13 as compared to that of free clusters. |
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Location:
Disque Hall, Room 614, 32 South 32nd Street, Philadelphia, PA 19104 |
Audience:
Undergraduate StudentsGraduate StudentsFaculty |
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