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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Na3Bi by Materials Project

Na3Bi is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Bi atoms to form a mixture of distorted edge, face, and corner-sharing NaNa4Bi4 tetrahedra. All Na–Na bond lengths are 3.34 Å. All Na–Bi bond lengths are 3.34 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Bi atoms. All Na–Bi bond lengths are 3.85 Å. Bi is bonded in a body-centered cubic geometry to fourteen Na atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Progress in Epitaxial Thin-Film Na 3 Bi as a Topological Electronic Material

Trisodium bismuthide (Na 3 Bi) is the first experimentally verified topological Dirac semimetal, and is a 3D analogue of graphene hosting relativistic Dirac fermions. Its unconventional momentum-energy relationship is interesting from a fundamental perspective, yielding exciting physical properties such as chiral charge carriers, the chiral anomaly, and weak anti-localization. It also shows promise for realizing topological electronic devices such as topological transistors. Herein, an overview of the substantial progress achieved in the last few years on Na 3 Bi is presented, with a focus on technologically relevant large-area thin films synthesized via molecular beam epitaxy. Key theoretical aspects underpinning the unique electronic properties of Na 3 Bi are introduced. Next, the growth process on different substrates is reviewed. Spectroscopic and microscopic features are illustrated, and an analysis of semiclassical and quantum transport phenomena in different doping regimes is provided. Furthermore, the emergent properties arising from confinement in two dimensions, including thickness-dependent and electric-field-driven topological phase transitions, are addressed, with an outlook toward current challenges and expected future progress.

36 MATERIALS SCIENCE↗