TY - JOUR
T1 - Transport and optical properties of the chiral semiconductor Ag3AuSe2
AU - Won, Juyeon
AU - Kim, Soyeun
AU - Gutierrez-Amigo, Martin
AU - Bettler, Simon
AU - Lee, Bumjoo
AU - Son, Jaeseok
AU - Won Noh, Tae
AU - Errea, Ion
AU - Vergniory, Maia G.
AU - Abbamonte, Peter
AU - Mahmood, Fahad
AU - Shoemaker, Daniel P.
N1 - Funding Information:
Crystal growth, transport, and microstructure characterization were supported by the Center for Quantum Sensing and Quantum Materials, an Energy Frontier Research Center funded by the U. S. Department of Energy, Office of Science, Basic Energy Sciences under Award DE‐SC0021238. The authors acknowledge the use of microscopy facilities at the Materials Research Laboratory Central Research Facilities, University of Illinois, partially supported by NSF through the University of Illinois Materials Research Science and Engineering Center DMR‐1720633. Computational work by MGV, IE, and MGA was supported by the Spanish Ministerio de Ciencia e Innovación (grant number PID2019109905GB‐C21) and Programa Red Guipuzcoana de Ciencia, Tecnología e Innovación 2021 No. 2021‐CIEN‐000070‐01 Gipuzkoa Next. MGV thanks support from the DeutscheForschungsgemeinschaft (DFG, German Research Foundation) GA 3314/1‐1 – FOR5249 (QUAST). SB acknowledges support through the Early Postdoc Mobility Fellowship from the Swiss National Science Foundation (Grant number P2EZP2 191885). Ellipsometry measurements by BL, JSS, and TWN were supported by the Institute for Basic Science (IBS) in Korea (Grant No. IBS‐R009‐D1).
Publisher Copyright:
© 2022 The Authors. Zeitschrift für anorganische und allgemeine Chemie published by Wiley-VCH GmbH.
PY - 2022/8/12
Y1 - 2022/8/12
N2 - 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 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.
AB - 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 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.
KW - Chirality
KW - Crystal growth
KW - Ellipsometry
KW - Semiconductors
KW - Topological insulators
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U2 - 10.1002/zaac.202200055
DO - 10.1002/zaac.202200055
M3 - Article
AN - SCOPUS:85130427915
SN - 0044-2313
VL - 648
JO - Zeitschrift fur Anorganische und Allgemeine Chemie
JF - Zeitschrift fur Anorganische und Allgemeine Chemie
IS - 15
M1 - e202200055
ER -