Charge Density Wave Order and Electronic Phase Transitions in a Dilute d-Band Semiconductor

Huandong Chen; Boyang Zhao; Josh Mutch; Gwan Yeong Jung; Guodong Ren; Sara Shabani; Eric Seewald; Shanyuan Niu; Jiangbin Wu; Nan Wang; Mythili Surendran; Shantanu Singh; Jiang Luo; Sanae Ohtomo; Gemma Goh; Bryan C. Chakoumakos; Simon J. Teat; Brent Melot; Han Wang; Abhay N. Pasupathy; Rohan Mishra; Jiun Haw Chu; Jayakanth Ravichandran

doi:10.1002/adma.202303283

Charge Density Wave Order and Electronic Phase Transitions in a Dilute d-Band Semiconductor

Huandong Chen, Boyang Zhao, Josh Mutch, Gwan Yeong Jung, Guodong Ren, Sara Shabani, Eric Seewald, Shanyuan Niu, Jiangbin Wu, Nan Wang, Mythili Surendran, Shantanu Singh, Jiang Luo, Sanae Ohtomo, Gemma Goh, Bryan C. Chakoumakos, Simon J. Teat, Brent Melot, Han Wang, Abhay N. PasupathyRohan Mishra, Jiun Haw Chu, Jayakanth Ravichandran

Single Crystal Diffraction

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

As one of the most fundamental physical phenomena, charge density wave (CDW) order predominantly occurs in metallic systems such as quasi-1D metals, doped cuprates, and transition metal dichalcogenides, where it is well understood in terms of Fermi surface nesting and electron–phonon coupling mechanisms. On the other hand, CDW phenomena in semiconducting systems, particularly at the low carrier concentration limit, are less common and feature intricate characteristics, which often necessitate the exploration of novel mechanisms, such as electron–hole coupling or Mott physics, to explain. In this study, an approach combining electrical transport, synchrotron X-ray diffraction, and density-functional theory calculations is used to investigate CDW order and a series of hysteretic phase transitions in a dilute d-band semiconductor, BaTiS₃. These experimental and theoretical findings suggest that the observed CDW order and phase transitions in BaTiS₃ may be attributed to both electron–phonon coupling and non-negligible electron–electron interactions in the system. This work highlights BaTiS₃ as a unique platform to explore CDW physics and novel electronic phases in the dilute filling limit and opens new opportunities for developing novel electronic devices.

Original language	English
Article number	2303283
Journal	Advanced Materials
Volume	35
Issue number	49
DOIs	https://doi.org/10.1002/adma.202303283
State	Published - Dec 7 2023

Funding

This work was supported by the Army Research Office (ARO) under award numbers W911NF‐21‐1‐0327 (ARO MURI) and W911NF‐19‐1‐0137 and the National Science Foundation (NSF) of the United States under award numbers DMR‐2122070 and 2122071. J.M., S.O., and J.‐H.C. acknowledge the support of the David and Lucile Packard Foundation and the State of Washington‐funded Clean Energy Institute. This research used resources from the Advanced Light Source, which is a Department of Energy (DOE) Office of Science User Facility under contract No. DE‐AC02‐05CH11231. This work used computational resources through allocation DMR‐160007 from the Advanced Cyberinfrastructure Coordination Ecosystem: Service & Support program, which is supported by NSF. A portion of this research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory. This work was supported by the Army Research Office (ARO) under award numbers W911NF-21-1-0327 (ARO MURI) and W911NF-19-1-0137 and the National Science Foundation (NSF) of the United States under award numbers DMR-2122070 and 2122071. J.M., S.O., and J.-H.C. acknowledge the support of the David and Lucile Packard Foundation and the State of Washington-funded Clean Energy Institute. This research used resources from the Advanced Light Source, which is a Department of Energy (DOE) Office of Science User Facility under contract No. DE-AC02-05CH11231. This work used computational resources through allocation DMR-160007 from the Advanced Cyberinfrastructure Coordination Ecosystem: Service & Support program, which is supported by NSF. A portion of this research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory.

Keywords

charge density wave
phase transitions
quasi-1D chalcogenide
semiconductors

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Chen, H., Zhao, B., Mutch, J., Jung, G. Y., Ren, G., Shabani, S., Seewald, E., Niu, S., Wu, J., Wang, N., Surendran, M., Singh, S., Luo, J., Ohtomo, S., Goh, G., Chakoumakos, B. C., Teat, S. J., Melot, B., Wang, H., ... Ravichandran, J. (2023). Charge Density Wave Order and Electronic Phase Transitions in a Dilute d-Band Semiconductor. Advanced Materials, 35(49), Article 2303283. https://doi.org/10.1002/adma.202303283

@article{27da61c005b041188a8f4b3feec6f2a1,

title = "Charge Density Wave Order and Electronic Phase Transitions in a Dilute d-Band Semiconductor",

abstract = "As one of the most fundamental physical phenomena, charge density wave (CDW) order predominantly occurs in metallic systems such as quasi-1D metals, doped cuprates, and transition metal dichalcogenides, where it is well understood in terms of Fermi surface nesting and electron–phonon coupling mechanisms. On the other hand, CDW phenomena in semiconducting systems, particularly at the low carrier concentration limit, are less common and feature intricate characteristics, which often necessitate the exploration of novel mechanisms, such as electron–hole coupling or Mott physics, to explain. In this study, an approach combining electrical transport, synchrotron X-ray diffraction, and density-functional theory calculations is used to investigate CDW order and a series of hysteretic phase transitions in a dilute d-band semiconductor, BaTiS3. These experimental and theoretical findings suggest that the observed CDW order and phase transitions in BaTiS3 may be attributed to both electron–phonon coupling and non-negligible electron–electron interactions in the system. This work highlights BaTiS3 as a unique platform to explore CDW physics and novel electronic phases in the dilute filling limit and opens new opportunities for developing novel electronic devices.",

keywords = "charge density wave, phase transitions, quasi-1D chalcogenide, semiconductors",

author = "Huandong Chen and Boyang Zhao and Josh Mutch and Jung, {Gwan Yeong} and Guodong Ren and Sara Shabani and Eric Seewald and Shanyuan Niu and Jiangbin Wu and Nan Wang and Mythili Surendran and Shantanu Singh and Jiang Luo and Sanae Ohtomo and Gemma Goh and Chakoumakos, {Bryan C.} and Teat, {Simon J.} and Brent Melot and Han Wang and Pasupathy, {Abhay N.} and Rohan Mishra and Chu, {Jiun Haw} and Jayakanth Ravichandran",

note = "Publisher Copyright: {\textcopyright} 2023 The Authors. Advanced Materials published by Wiley-VCH GmbH.",

year = "2023",

month = dec,

day = "7",

doi = "10.1002/adma.202303283",

language = "English",

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Chen, H, Zhao, B, Mutch, J, Jung, GY, Ren, G, Shabani, S, Seewald, E, Niu, S, Wu, J, Wang, N, Surendran, M, Singh, S, Luo, J, Ohtomo, S, Goh, G, Chakoumakos, BC, Teat, SJ, Melot, B, Wang, H, Pasupathy, AN, Mishra, R, Chu, JH & Ravichandran, J 2023, 'Charge Density Wave Order and Electronic Phase Transitions in a Dilute d-Band Semiconductor', Advanced Materials, vol. 35, no. 49, 2303283. https://doi.org/10.1002/adma.202303283

TY - JOUR

T1 - Charge Density Wave Order and Electronic Phase Transitions in a Dilute d-Band Semiconductor

AU - Chen, Huandong

AU - Zhao, Boyang

AU - Mutch, Josh

AU - Jung, Gwan Yeong

AU - Ren, Guodong

AU - Shabani, Sara

AU - Seewald, Eric

AU - Niu, Shanyuan

AU - Wu, Jiangbin

AU - Wang, Nan

AU - Surendran, Mythili

AU - Singh, Shantanu

AU - Luo, Jiang

AU - Ohtomo, Sanae

AU - Goh, Gemma

AU - Chakoumakos, Bryan C.

AU - Teat, Simon J.

AU - Melot, Brent

AU - Wang, Han

AU - Pasupathy, Abhay N.

AU - Mishra, Rohan

AU - Chu, Jiun Haw

AU - Ravichandran, Jayakanth

PY - 2023/12/7

Y1 - 2023/12/7

N2 - As one of the most fundamental physical phenomena, charge density wave (CDW) order predominantly occurs in metallic systems such as quasi-1D metals, doped cuprates, and transition metal dichalcogenides, where it is well understood in terms of Fermi surface nesting and electron–phonon coupling mechanisms. On the other hand, CDW phenomena in semiconducting systems, particularly at the low carrier concentration limit, are less common and feature intricate characteristics, which often necessitate the exploration of novel mechanisms, such as electron–hole coupling or Mott physics, to explain. In this study, an approach combining electrical transport, synchrotron X-ray diffraction, and density-functional theory calculations is used to investigate CDW order and a series of hysteretic phase transitions in a dilute d-band semiconductor, BaTiS3. These experimental and theoretical findings suggest that the observed CDW order and phase transitions in BaTiS3 may be attributed to both electron–phonon coupling and non-negligible electron–electron interactions in the system. This work highlights BaTiS3 as a unique platform to explore CDW physics and novel electronic phases in the dilute filling limit and opens new opportunities for developing novel electronic devices.

AB - As one of the most fundamental physical phenomena, charge density wave (CDW) order predominantly occurs in metallic systems such as quasi-1D metals, doped cuprates, and transition metal dichalcogenides, where it is well understood in terms of Fermi surface nesting and electron–phonon coupling mechanisms. On the other hand, CDW phenomena in semiconducting systems, particularly at the low carrier concentration limit, are less common and feature intricate characteristics, which often necessitate the exploration of novel mechanisms, such as electron–hole coupling or Mott physics, to explain. In this study, an approach combining electrical transport, synchrotron X-ray diffraction, and density-functional theory calculations is used to investigate CDW order and a series of hysteretic phase transitions in a dilute d-band semiconductor, BaTiS3. These experimental and theoretical findings suggest that the observed CDW order and phase transitions in BaTiS3 may be attributed to both electron–phonon coupling and non-negligible electron–electron interactions in the system. This work highlights BaTiS3 as a unique platform to explore CDW physics and novel electronic phases in the dilute filling limit and opens new opportunities for developing novel electronic devices.

KW - charge density wave

KW - phase transitions

KW - quasi-1D chalcogenide

KW - semiconductors

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U2 - 10.1002/adma.202303283

DO - 10.1002/adma.202303283

M3 - Article

C2 - 37540897

AN - SCOPUS:85174950074

SN - 0935-9648

VL - 35

JO - Advanced Materials

JF - Advanced Materials

IS - 49

M1 - 2303283

ER -

Charge Density Wave Order and Electronic Phase Transitions in a Dilute d-Band Semiconductor

Abstract

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Keywords

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