Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session T00: Poster Session III (1pm- 4pm CST)
1:00 PM,
Thursday, March 17, 2022
Room: McCormick Place Exhibit Hall F1
Abstract: T00.00145 : A Combined First Principles Study of the Structural, Magnetic, and Phonon Properties of Monolayer CrI3*
Presenter:
Brenda M Rubenstein
(Department of Chemistry, Brown University)
Authors:
Brenda M Rubenstein
(Department of Chemistry, Brown University)
Daniel Staros
(Department of Chemistry, Brown University)
Guoxiang Hu
(Department of Chemistry and Biochemistry, Queens College, City University of New York)
Juha Tiihonen
(Material Science and Technology Division, Oak Ridge National Laboratory)
Ravindra Nanguneri
(Department of Chemistry, Brown University)
Jaron Krogel
(Material Science and Technology Division, Oak Ridge National Laboratory)
M. Chandler Bennett
(Material Science and Technology Division, Oak Ridge National Laboratory)
Olle Heinonen
(Argonne National Laboratory)
Panchapakesan Ganesh
(Oak Ridge National Lab)
*This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, as part of the Computational Materials Sciences Program and Center for Predictive Simulation of Functional Materials.
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