Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session B14: Dirac and Weyl Semimetals: Theory I
11:30 AM–2:06 PM,
Monday, March 4, 2024
Room: M100E
Sponsoring
Unit:
DCMP
Chair: Vsevolod Ivanov, Virginia Tech
Abstract: B14.00002 : Pseudo-atomic orbital based tight-binding model investigation of Fermi Arcs in Na3Bi.*
11:42 AM–11:54 AM
Presenter:
Vasilios K Passias
(University of Illinois at Urbana-Champaign)
Authors:
Vasilios K Passias
(University of Illinois at Urbana-Champaign)
Lucas K Wagner
(University of Illinois at Urbana-Champaign.)
We examine the effect of surfaces in a realistic model of Na3Bi. We construct a first-principles based tight binding model using pseudo-atomic orbitals [6]. For a 60-layer (100) neutral termination slab, near a surface projected bulk Dirac point, we find states with surface and bulk extent. Away from the projected Dirac points we find slab termination localized states. Such behavior, along with the surface and bulk bands converging towards the expected bulk Dirac point for thicker neutral termination (100) slabs, is consistent with the predicted behavior of Fermi arcs in Na3Bi.
1. Z. Wang, et al, Phys. Rev. B 85, 195320 (2012).
2. A. C. Potter, I. Kimchi, and A. Vishwanath, Nature Communications 5, 5161 (2014).
3. E. V. Gorbar, V. A. Miransky, I. A. Shovkovy, and P. O. Sukhachov, Phys. Rev. B 91, 121101 (2015).
4. S.-Y. Xu, et al, Science 347 (2015).
5. M. Kargarian, M. Randeria, and Y.-M. Lu, Proceedings of the National Academy of Sciences 113 (2016).
6. M. Buongiorno Nardelli, et al, Computational Materials Science 143 (2018).
*We thank the Illinois Physics department for funding.We thank the Illinois Campus Cluster for computational resources.
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