Electronic structure and coherence properties of spin defects in two-and three-dimensional semiconductors from first principles
Invited
Abstract
We report on recent progress in investigating the electronic structure [1] and coherence properties [2] of spin defects in three- and two-dimensional materials using first principles electronic structure calculations (DFT and many body perturbation theory), and spin Hamiltonians [3]. In particular we present results for defects in SiC, and MoS2.
[1] H. Ma, M. Govoni and G. Galli, npj, Comput. Mat., 6 (85), (2020)
[2] A. Bourassa et al., Nat. Mat. 2020; M. Onizhuk et al. arXiv. 2020. 2010.11077; M. Ye, H. Seo and G. Galli, npj Comp. Mat. 5 (44), 1-6 (2019)
[3] K. Ghosh, H. Ma, V. Gavini and G. Galli, Phys. Rev. Mat. 3, 043801 (2019).
[1] H. Ma, M. Govoni and G. Galli, npj, Comput. Mat., 6 (85), (2020)
[2] A. Bourassa et al., Nat. Mat. 2020; M. Onizhuk et al. arXiv. 2020. 2010.11077; M. Ye, H. Seo and G. Galli, npj Comp. Mat. 5 (44), 1-6 (2019)
[3] K. Ghosh, H. Ma, V. Gavini and G. Galli, Phys. Rev. Mat. 3, 043801 (2019).
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Presenters
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Giulia Galli
The University of Chicago, Pritzker School of Molecular Engineering, The University of Chicago, Pritzker School of Molecular Engineering, University of Chicago, University of Chicago, Department of Chemistry, University of Chicago, Materials Science Division and Center for Molecular Engineering, Argonne National Laboratory
Authors
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Giulia Galli
The University of Chicago, Pritzker School of Molecular Engineering, The University of Chicago, Pritzker School of Molecular Engineering, University of Chicago, University of Chicago, Department of Chemistry, University of Chicago, Materials Science Division and Center for Molecular Engineering, Argonne National Laboratory