Pressure induced metallization with absence of structural transition in layered molybdenum diselenide

Zhao, Zhao; Zhang, Haijun; Yuan, Hongtao; Wang, Shibing; Lin, Yu; Zeng, Qiaoshi; Xu, Gang; Liu, Zhenxian; Solanki, G. K.; Patel, K. D.; Cui, Yi; Hwang, Harold Y.; Mao, Wendy L.

doi:10.1038/ncomms8312

Title: Pressure induced metallization with absence of structural transition in layered molybdenum diselenide

Journal Article · Fri Jun 19 00:00:00 EDT 2015 · Nature Communications

DOI:https://doi.org/10.1038/ncomms8312· OSTI ID:1188813

Zhao, Zhao ^[1]; Zhang, Haijun ^[2]; Yuan, Hongtao ^[3]; Wang, Shibing ^[4]; Lin, Yu ^[1]; Zeng, Qiaoshi ^[5]; Xu, Gang ^[1]; Liu, Zhenxian ^[6]; Solanki, G. K. ^[7]; Patel, K. D. ^[7]; Cui, Yi ^[3]; Hwang, Harold Y. ^[3]; Mao, Wendy L. ^[3]

Stanford Univ., Stanford, CA (United States)
Stanford Univ., Stanford, CA (United States); Nanjing Univ., Nanjing (China)
Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States)
Carnegie Inst. of Washington, Argonne, IL (United States); Center for High Pressure Science and Technology Advanced Research, Shanghai (China)
Carnegie Inst. of Washington, Argonne, IL (United States)
Sardar Patel University, Gujarat (India)

Layered transition-metal dichalcogenides have emerged as exciting material systems with atomically thin geometries and unique electronic properties. Pressure is a powerful tool for continuously tuning their crystal and electronic structures away from the pristine states. We systematically investigated the pressurized behavior of MoSe₂ up to ~60 GPa using multiple experimental techniques and ab-initio calculations. MoSe₂ evolves from an anisotropic two-dimensional layered network to a three-dimensional structure without a structural transition, which is a complete contrast to MoS₂. Thus, the role of the chalcogenide anions in stabilizing different layered patterns is underscored by our layer sliding calculations. MoSe₂ possesses highly tunable transport properties under pressure, determined by the gradual narrowing of its band-gap followed by metallization. The continuous tuning of its electronic structure and band-gap in the range of visible light to infrared suggest possible energy variable optoelectronics applications in pressurized transition-metal dichalcogenides.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States); Stanford Univ., CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC02-06CH11357; AC02-76SF00515; NA0001974; FG02-99ER45775; AC02-98CH10886

OSTI ID:: 1188813

Alternate ID(s):: OSTI ID: 1214795; OSTI ID: 1221893

Journal Information:: Nature Communications, Vol. 6, Issue 8; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: ENGLISH

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Cited by: 155 works

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First-principles study of the thermodynamic and vibrational properties of ${ReS}_{2}$ under pressure Sheremetyeva, Natalya; Tristant, Damien; Yoshimura, Anthony Physical Review B, Vol. 100, Issue 21 https://doi.org/10.1103/physrevb.100.214101	journal	December 2019
Large valley splitting in monolayer ${WS}_{2}$ by proximity coupling to an insulating antiferromagnetic substrate Xu, Lei; Yang, Ming; Shen, Lei Physical Review B, Vol. 97, Issue 4 https://doi.org/10.1103/physrevb.97.041405	journal	January 2018
Structural, vibrational, and electrical properties of $1 T − TiT e_{2}$ under hydrostatic pressure: Experiments and theory Rajaji, V.; Dutta, Utpal; Sreeparvathy, P. C. Physical Review B, Vol. 97, Issue 8 https://doi.org/10.1103/physrevb.97.085107	journal	February 2018
Pressure induced band inversion, electronic and structural phase transitions in InTe: A combined experimental and theoretical study Rajaji, V.; Pal, Koushik; Sarma, Saurav Ch. Physical Review B, Vol. 97, Issue 15 https://doi.org/10.1103/physrevb.97.155158	journal	April 2018
Pressure-induced evolution of structural and electronic properties in $TiT e_{2}$ Zhou, Yonghui; Chen, Chunhua; Zhou, Ying Physical Review B, Vol. 99, Issue 12 https://doi.org/10.1103/physrevb.99.125104	journal	March 2019
Vibrational and dielectric properties of monolayer transition metal dichalcogenides Pike, Nicholas A.; Dewandre, Antoine; Van Troeye, Benoit Physical Review Materials, Vol. 3, Issue 7 https://doi.org/10.1103/physrevmaterials.3.074009	journal	July 2019
On the Stability and Electronic Structure of Transition-Metal Dichalcogenide Monolayer Alloys Mo1−xXxS2−ySey with X = W, Nb Kuc, Agnieszka; Heine, Thomas Electronics, Vol. 5, Issue 4 https://doi.org/10.3390/electronics5010001	journal	December 2015
Thermal conductivity of monolayer MoS2, MoSe2, and WS2: Interplay of mass effect, interatomic bonding and anharmonicity Peng, Bo; Zhang, Hao; Shao, Hezhu arXiv https://doi.org/10.48550/arxiv.1509.01391	text	January 2015
Pressure dependence of direct optical transitions in ReS2 and ReSe2 Oliva, R.; Laurien, M.; Dybala, F. arXiv https://doi.org/10.48550/arxiv.1812.02995	text	January 2018
Significant improvement in Mn2O3 transition metal oxide electrical conductivity via high pressure Hong, Fang; Yue, Binbin; Hirao, Naohisa Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/srep44078	journal	March 2017

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