Transport and optical properties of the chiral semiconductor Ag3AuSe2

Abstract

Previous band structure calculations predicted Ag3AuSe2 to be a semiconductor with a band gap of approximately 1 eV. Here, we report single crystal growth of Ag3AuSe2 and its transport and optical properties. Single crystals of Ag3AuSe2 were synthesized by slow-cooling from the melt, and grain sizes were confirmed to be greater than 2 mm using electron backscatter diffraction. Optical and transport measurements reveal that Ag3AuSe2 is a highly resistive semiconductor with a band gap of and activation energy around 0.3 eV. Our first-principles calculations show that the experimentally-determined band gap lies between the predicted band gaps from GGA and hybrid functionals. We predict band inversion to be possible by applying tensile strain. The sensitivity of the gap to Ag/Au ordering, chemical substitution, and heat treatment merit further investigation.

arXiv comment6 pages, 7 figures

References in corpus (10)

• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Beyond Dirac and Weyl fermions: Unconventional quasiparticles in conventional crystals
• Quantized circular photogalvanic effect in Weyl semimetals
• Topological quantum properties of chiral crystals
• Large Fermi Arcs in Unconventional Weyl Semimetal RhSi
• Discovery of topological chiral crystals with helicoid arc states
• Chiral Topological Semimetal with Multifold Band Crossings and Long Fermi arcs
• Chiral Optical Response of Multifold Fermions
• Observation and control of maximal Chern numbers in a chiral topological semimetal
• Spectral and optical properties of Ag${}_3$Au(Se${}_2$,Te${}_2$) and dark matter detection