25 citations · 25 across the 1 of their papers we have counts for
6 papers
Comment on "Self-Purification in Semiconductor Nanocrystals"
M. -H. Du, S. C. Erwin, Al. L. Efros +1
In a recent Letter [PRL 96, 226802 (2006)], Dalpian and Chelikowsky claimed that formation energies of Mn impurities in CdSe nanocrystals increase as the size of the nanocrystal de…
Spin Polarization and Electonic Structure of Room-Curie Ferromagnetic Mn5Ge3 Epilayers
R. P. Panguluri, Changgan Zeng, H. H. Weitering +3
Germanium-based alloys hold great promise for future spintronics applications, due to their potential for integration with conventional Si-based electronics. Mn5Ge3 exhibits strong…
Reformulation of the LDA+U method for a local orbital basis
W. E. Pickett, S. C. Erwin, E. C. Ethridge
We present a new approach to the evaluation of the on-site repulsion energy U for use in the LDA+U method of Anisimov and collaborators. Our objectives are to make the method more…
Tight-Binding Parametrization of First-Principles Electronic Dispersion in Orientationally Disordered A3c60
S. C. Erwin, E. J. Mele
We derive numerical tight-binding hopping parameters to describe conduction-band dispersion in arbitrary orientational phases of C. The parameters are obtained by direc…
Effective-Medium Theory for the Normal State in Orientationally Disordered Fullerides
M. S. Deshpande, S. C. Erwin, S. Hong +1
An effective-medium theory for studying the electronic structure of the orientationally disordered A3C60 fullerides is developed and applied to study various normal-state propertie…
Electronic Structure of Superconducting Ba6c60
Steven C. Erwin, Mark R. Pederson
We report the results of first-principles electronic-structure calculations for superconducting Ba6C60. Unlike the A3C60 superconductors, this new compound shows strong Ba-C hybrid…