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Title: Band gap crossover and insulator–metal transition in the compressed layered CrPS4

Abstract

Two-dimensional van der Waals (vdW) magnetic materials have emerged as possible candidates for future ultrathin spintronic devices, and finding a way to tune their physical properties is desirable for wider applications. Owing to the sensitivity and tunability of the physical properties to the variation of interatomic separations, this class of materials is attractive to explore under pressure. Here, we present the observation of direct to indirect band gap crossover and an insulator–metal transition in the vdW antiferromagnetic insulator CrPS4 under pressure through in-situ photoluminescence, optical absorption, and resistivity measurements. Raman spectroscopy experiments revealed no changes in the spectral feature during the band gap crossover whereas the insulator–metal transition is possibly driven by the formation of the high-pressure crystal structure. Theoretical calculations suggest that the band gap crossover is driven by the shrinkage and rearrangement of the CrS6 octahedra under pressure. Such high tunability under pressure demonstrates an interesting interplay between structural, optical and magnetic degrees of freedom in CrPS4, and provides further opportunity for the development of devices based on tunable properties of 2D vdW magnetic materials.

Authors:
ORCiD logo; ; ; ORCiD logo; ; ; ; ; ; ;
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1647887
Alternate Identifier(s):
OSTI ID: 1693399
Report Number(s):
BNL-220023-2020-JAAM
Journal ID: ISSN 2397-4648; 58; PII: 261
Grant/Contract Number:  
SC0012704 (BNL materials synthesis); SC0012704
Resource Type:
Published Article
Journal Name:
npj Quantum Materials
Additional Journal Information:
Journal Name: npj Quantum Materials Journal Volume: 5 Journal Issue: 1; Journal ID: ISSN 2397-4648
Publisher:
Nature Publishing Group
Country of Publication:
United Kingdom
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Susilo, Resta A., Jang, Bo Gyu, Feng, Jiajia, Du, Qianheng, Yan, Zhipeng, Dong, Hongliang, Yuan, Mingzhi, Petrovic, Cedomir, Shim, Ji Hoon, Kim, Duck Young, and Chen, Bin. Band gap crossover and insulator–metal transition in the compressed layered CrPS4. United Kingdom: N. p., 2020. Web. doi:10.1038/s41535-020-00261-x.
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Susilo, Resta A., Jang, Bo Gyu, Feng, Jiajia, Du, Qianheng, Yan, Zhipeng, Dong, Hongliang, Yuan, Mingzhi, Petrovic, Cedomir, Shim, Ji Hoon, Kim, Duck Young, & Chen, Bin. Band gap crossover and insulator–metal transition in the compressed layered CrPS4. United Kingdom. https://doi.org/10.1038/s41535-020-00261-x
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Susilo, Resta A., Jang, Bo Gyu, Feng, Jiajia, Du, Qianheng, Yan, Zhipeng, Dong, Hongliang, Yuan, Mingzhi, Petrovic, Cedomir, Shim, Ji Hoon, Kim, Duck Young, and Chen, Bin. Tue . "Band gap crossover and insulator–metal transition in the compressed layered CrPS4". United Kingdom. https://doi.org/10.1038/s41535-020-00261-x.
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@article{osti_1647887,
title = {Band gap crossover and insulator–metal transition in the compressed layered CrPS4},
author = {Susilo, Resta A. and Jang, Bo Gyu and Feng, Jiajia and Du, Qianheng and Yan, Zhipeng and Dong, Hongliang and Yuan, Mingzhi and Petrovic, Cedomir and Shim, Ji Hoon and Kim, Duck Young and Chen, Bin},
abstractNote = {Two-dimensional van der Waals (vdW) magnetic materials have emerged as possible candidates for future ultrathin spintronic devices, and finding a way to tune their physical properties is desirable for wider applications. Owing to the sensitivity and tunability of the physical properties to the variation of interatomic separations, this class of materials is attractive to explore under pressure. Here, we present the observation of direct to indirect band gap crossover and an insulator–metal transition in the vdW antiferromagnetic insulator CrPS4 under pressure through in-situ photoluminescence, optical absorption, and resistivity measurements. Raman spectroscopy experiments revealed no changes in the spectral feature during the band gap crossover whereas the insulator–metal transition is possibly driven by the formation of the high-pressure crystal structure. Theoretical calculations suggest that the band gap crossover is driven by the shrinkage and rearrangement of the CrS6 octahedra under pressure. Such high tunability under pressure demonstrates an interesting interplay between structural, optical and magnetic degrees of freedom in CrPS4, and provides further opportunity for the development of devices based on tunable properties of 2D vdW magnetic materials.},
doi = {10.1038/s41535-020-00261-x},
journal = {npj Quantum Materials},
number = 1,
volume = 5,
place = {United Kingdom},
year = {Tue Aug 18 00:00:00 EDT 2020},
month = {Tue Aug 18 00:00:00 EDT 2020}
}
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Journal Article:
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Publisher's Version of Record
https://doi.org/10.1038/s41535-020-00261-x
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