Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session Q52: Magnetization Dynamics and Spin-Orbitronics in 2D, Topological, and Semiconductor Materials
3:00 PM–6:00 PM,
Wednesday, March 16, 2022
Room: McCormick Place W-475A
Sponsoring
Units:
GMAG DMP FIAP
Chair: Kelly Luo, Cornell University
Abstract: Q52.00002 : First Principles Calculations of the Electronic Structure of V(TCNE)2*
3:12 PM–3:24 PM
Presenter:
Yueguang Shi
(University of Iowa)
Authors:
Yueguang Shi
(University of Iowa)
Michael E Flatté
(University of Iowa)
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[2] N. Zhu, X. Zhang, I. H. Froning, M. E. Flatté, E. Johnston-Halperin, and H. X. Tang, Appl. Phys. Lett. 109,082402 (2016).
[3] J. M. Manriquez, G. T. Yee, R. S. McLean, A. J. Epstein, and J. S. Miller, Science 252, 1415 (1991).
[4] G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993); ibid. 49, 14 251 (1994).
[5] G. Kresse and J. Furthmüller, Comput. Mat. Sci. 6, 15 (1996).
[6] G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11 169 (1996).
[7] J. Heyd, G. E. Scuseria, M. Ernzerhof, J. Chem. Phys. 118, 18 8207 (2003).
*We acknowledge funding from NSF Grant No. DMR-1808742, and for doped materials the Center for Molecular Quantum Transduction, an EFRC funded by the US DOE under Award DE-SC0021314.
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