Charge Density Wave and Narrow Energy Gap at Room Temperature in 2D Pb3–xSb1+xS4Te2-δ with Square Te Sheets
Abstract
We report a new two-dimensional compound Pb3–xSb1+xS4Te2-δ has a charge density wave (CDW) at room temperature. The CDW is incommensurate with q-vector of 0.248(6)a* + 0.246(8)b* + 0.387(9)c* for x = 0.29(2) and d = 0.37(3) due to positional and occupational long range ordering of Te atoms in the sheets. The modulated structure was refined from the single crystal X-ray diffraction data with a superspace group P$$\bar{1}$$(αβγ)0 using (3 + 1)-dimensional crystallography. The resistivity increases with decreasing temperature, suggesting semiconducting behavior. The transition temperature (TCDW) of the CDW is ~ 345 K above which the Te square sheets become disordered with no q-vector. Lastly, first-principles density functional theory calculations on the undistorted structure and an approximate commensurate supercell reveal that the gap is due to the structure modulation.
- Authors:
-
[1];
[1]
- Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry; Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
- Univ. of Illinois, Urbana-Champaign, IL (United States). Dept. of Physics
- Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
- Publication Date:
- Research Org.:
- Argonne National Laboratory (ANL), Argonne, IL (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Emergent Superconductivity (CES)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1393841
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of the American Chemical Society
- Additional Journal Information:
- Journal Volume: 139; Journal Issue: 32; Journal ID: ISSN 0002-7863
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; Charge density wave; Incommensurate super-lattice; Semiconductor
Citation Formats
Chen, Haijie, Malliakas, Christos D., Narayan, Awadhesh, Fang, Lei, Chung, Duck Young, Wagner, Lucas K., Kwok, Wai-Kwong, and Kanatzidis, Mercouri G. Charge Density Wave and Narrow Energy Gap at Room Temperature in 2D Pb3–xSb1+xS4Te2-δ with Square Te Sheets. United States: N. p., 2017.
Web. doi:10.1021/jacs.7b06446.
Chen, Haijie, Malliakas, Christos D., Narayan, Awadhesh, Fang, Lei, Chung, Duck Young, Wagner, Lucas K., Kwok, Wai-Kwong, & Kanatzidis, Mercouri G. Charge Density Wave and Narrow Energy Gap at Room Temperature in 2D Pb3–xSb1+xS4Te2-δ with Square Te Sheets. United States. https://doi.org/10.1021/jacs.7b06446
Chen, Haijie, Malliakas, Christos D., Narayan, Awadhesh, Fang, Lei, Chung, Duck Young, Wagner, Lucas K., Kwok, Wai-Kwong, and Kanatzidis, Mercouri G. Mon .
"Charge Density Wave and Narrow Energy Gap at Room Temperature in 2D Pb3–xSb1+xS4Te2-δ with Square Te Sheets". United States. https://doi.org/10.1021/jacs.7b06446. https://www.osti.gov/servlets/purl/1393841.
@article{osti_1393841,
title = {Charge Density Wave and Narrow Energy Gap at Room Temperature in 2D Pb3–xSb1+xS4Te2-δ with Square Te Sheets},
author = {Chen, Haijie and Malliakas, Christos D. and Narayan, Awadhesh and Fang, Lei and Chung, Duck Young and Wagner, Lucas K. and Kwok, Wai-Kwong and Kanatzidis, Mercouri G.},
abstractNote = {We report a new two-dimensional compound Pb3–xSb1+xS4Te2-δ has a charge density wave (CDW) at room temperature. The CDW is incommensurate with q-vector of 0.248(6)a* + 0.246(8)b* + 0.387(9)c* for x = 0.29(2) and d = 0.37(3) due to positional and occupational long range ordering of Te atoms in the sheets. The modulated structure was refined from the single crystal X-ray diffraction data with a superspace group P$\bar{1}$(αβγ)0 using (3 + 1)-dimensional crystallography. The resistivity increases with decreasing temperature, suggesting semiconducting behavior. The transition temperature (TCDW) of the CDW is ~ 345 K above which the Te square sheets become disordered with no q-vector. Lastly, first-principles density functional theory calculations on the undistorted structure and an approximate commensurate supercell reveal that the gap is due to the structure modulation.},
doi = {10.1021/jacs.7b06446},
journal = {Journal of the American Chemical Society},
number = 32,
volume = 139,
place = {United States},
year = {Mon Jul 17 00:00:00 EDT 2017},
month = {Mon Jul 17 00:00:00 EDT 2017}
}
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Works referenced in this record:
Pressure Induced Superconductivity in Pristine
journal, November 2009
- Kusmartseva, A. F.; Sipos, B.; Berger, H.
- Physical Review Letters, Vol. 103, Issue 23
Crystal Structure and Electronic Band Structure of LaTe2
journal, January 2000
- Stöwe, Klaus
- Journal of Solid State Chemistry, Vol. 149, Issue 1
Pressure-Induced Superconducting Phase in the Charge-Density-Wave Compound Terbium Tritelluride
journal, April 2009
- Hamlin, J. J.; Zocco, D. A.; Sayles, T. A.
- Physical Review Letters, Vol. 102, Issue 17
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Attractive interaction and superconductivity for
journal, December 1991
- Zhang, F. C.; Ogata, Masao; Rice, T. M.
- Physical Review Letters, Vol. 67, Issue 24
Ba 1– x Na x Ti 2 Sb 2 O (0.0 ≤ x ≤ 0.33): A Layered Titanium-Based Pnictide Oxide Superconductor
journal, September 2012
- Doan, Phuong; Gooch, Melissa; Tang, Zhongjia
- Journal of the American Chemical Society, Vol. 134, Issue 40
Direct Observation of Complete Fermi Surface, Imperfect Nesting, and Gap Anisotropy in the High-Temperature Incommensurate Charge-Density-Wave Compound
journal, July 1998
- Gweon, G. -H.; Denlinger, J. D.; Clack, J. A.
- Physical Review Letters, Vol. 81, Issue 4
Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale
journal, October 2003
- Kokalj, Anton
- Computational Materials Science, Vol. 28, Issue 2
Superconductivity above 20 K in the Ba-K-Bi-O system
journal, March 1988
- Mattheiss, L. F.; Gyorgy, E. M.; Johnson, D. W.
- Physical Review B, Vol. 37, Issue 7
Broken translational and rotational symmetry via charge stripe order in underdoped YBa2Cu3O6+y
journal, March 2015
- Comin, R.; Sutarto, R.; da Silva Neto, E. H.
- Science, Vol. 347, Issue 6228
Charge Density Wave, Superconductivity, and Anomalous Metallic Behavior in 2D Transition Metal Dichalcogenides
journal, May 2001
- Castro Neto, A. H.
- Physical Review Letters, Vol. 86, Issue 19
Fermi surface nesting and charge-density wave formation in rare-earth tritellurides
journal, February 2005
- Laverock, J.; Dugdale, S. B.; Major, Zs.
- Physical Review B, Vol. 71, Issue 8
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009
- Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
- Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
Electronic structure and charge-density wave formation in and
journal, August 2005
- Shin, K. Y.; Brouet, V.; Ru, N.
- Physical Review B, Vol. 72, Issue 8
Fast electronic resistance switching involving hidden charge density wave states
journal, May 2016
- Vaskivskyi, I.; Mihailovic, I. A.; Brazovskii, S.
- Nature Communications, Vol. 7, Issue 1
Local Atomic Structure and Discommensurations in the Charge Density Wave of
journal, June 2006
- Kim, H. J.; Malliakas, C. D.; Tomić, A. T.
- Physical Review Letters, Vol. 96, Issue 22
New Contributions to the Optics of Intensely Light-Scattering Materials Part I
journal, January 1948
- Kubelka, Paul
- Journal of the Optical Society of America, Vol. 38, Issue 5
Square Nets of Tellurium: Rare-Earth Dependent Variation in the Charge-Density Wave of RETe 3 (RE = Rare-Earth Element)
journal, May 2005
- Malliakas, Christos; Billinge, Simon J. L.; Kim, Hyun Jeong
- Journal of the American Chemical Society, Vol. 127, Issue 18
Superconductivity in BaTi 2 Sb 2 O with a d 1 Square Lattice
journal, October 2012
- Yajima, Takeshi; Nakano, Kousuke; Takeiri, Fumitaka
- Journal of the Physical Society of Japan, Vol. 81, Issue 10
Two Superconducting Phases in the Isovalent Solid Solutions BaTi 2 Pn 2 O ( Pn = As, Sb, and Bi)
journal, March 2013
- Yajima, Takeshi; Nakano, Kousuke; Takeiri, Fumitaka
- Journal of the Physical Society of Japan, Vol. 82, Issue 3
Coexistence and Coupling of Two Distinct Charge Density Waves in Sm 2 Te 5
journal, March 2008
- Malliakas, Christos D.; Iavarone, Maria; Fedor, Jan
- Journal of the American Chemical Society, Vol. 130, Issue 11
Snapshots of cooperative atomic motions in the optical suppression of charge density waves
journal, November 2010
- Eichberger, Maximilian; Schäfer, Hanjo; Krumova, Marina
- Nature, Vol. 468, Issue 7325
Superconductivity in magnetically ordered
journal, June 2003
- Jung, M. H.; Alsmadi, A.; Kim, H. C.
- Physical Review B, Vol. 67, Issue 21
Charge Density Wave in the New Polymorphs of RE 2 Ru 3 Ge 5 ( RE = Pr, Sm, Dy)
journal, March 2017
- Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei
- Journal of the American Chemical Society, Vol. 139, Issue 11
Inhomogeneity of charge-density-wave order and quenched disorder in a high-Tc superconductor
journal, September 2015
- Campi, G.; Bianconi, A.; Poccia, N.
- Nature, Vol. 525, Issue 7569
Square nets of main-group elements in solid-state materials
journal, January 1987
- Tremel, Wolfgang; Hoffmann, Roald
- Journal of the American Chemical Society, Vol. 109, Issue 1
From Mott state to superconductivity in 1T-TaS2
journal, November 2008
- Sipos, B.; Kusmartseva, A. F.; Akrap, A.
- Nature Materials, Vol. 7, Issue 12
Transient Electronic Structure and Melting of a Charge Density Wave in TbTe3
journal, September 2008
- Schmitt, F.; Kirchmann, P. S.; Bovensiepen, U.
- Science, Vol. 321, Issue 5896
Superconductivity in CuxTiSe2
journal, July 2006
- Morosan, E.; Zandbergen, H. W.; Dennis, B. S.
- Nature Physics, Vol. 2, Issue 8
Fermi Surface Reconstruction in the CDW State of Observed by Photoemission
journal, September 2004
- Brouet, V.; Yang, W. L.; Zhou, X. J.
- Physical Review Letters, Vol. 93, Issue 12
Superconductivity near 30 K without copper: the Ba0.6K0.4BiO3 perovskite
journal, April 1988
- Cava, R. J.; Batlogg, B.; Krajewski, J. J.
- Nature, Vol. 332, Issue 6167
A charge-density-wave oscillator based on an integrated tantalum disulfide–boron nitride–graphene device operating at room temperature
journal, July 2016
- Liu, Guanxiong; Debnath, Bishwajit; Pope, Timothy R.
- Nature Nanotechnology, Vol. 11, Issue 10
Superconductivity in Pd-intercalated charge-density-wave rare earth poly-tellurides RETe n
journal, May 2016
- He, J. B.; Wang, P. P.; Yang, H. X.
- Superconductor Science and Technology, Vol. 29, Issue 6
On the origin of charge-density waves in select layered transition-metal dichalcogenides
journal, May 2011
- Rossnagel, K.
- Journal of Physics: Condensed Matter, Vol. 23, Issue 21
Direct observation of competition between superconductivity and charge density wave order in YBa2Cu3O6.67
journal, October 2012
- Chang, J.; Blackburn, E.; Holmes, A. T.
- Nature Physics, Vol. 8, Issue 12
Crystallographic Computing System JANA2006: General features
journal, January 2014
- Petříček, Václav; Dušek, Michal; Palatinus, Lukáš
- Zeitschrift für Kristallographie - Crystalline Materials, Vol. 229, Issue 5
Cu0.66EuTe2, KCu2EuTe4 and Na0.2Ag2.8EuTe4: compounds with modulated square Te nets
journal, January 1999
- Patschke, Rhonda; Brazis, Paul; Kannewurf, Carl R.
- Journal of Materials Chemistry, Vol. 9, Issue 10
Polytelluride compounds containing distorted nets of tellurium
journal, June 2002
- Patschke, Rhonda; Kanatzidis, Mercouri G.
- Physical Chemistry Chemical Physics, Vol. 4, Issue 14
Revealing Charge Density Wave Formation in the System by Angle Resolved Photoemission Spectroscopy
journal, April 2007
- Garcia, D. R.; Gweon, G. -H.; Zhou, S. Y.
- Physical Review Letters, Vol. 98, Issue 16
A Double Charge Density Wave in the Single Tellurium Square Net in Cu 0.63 EuTe 2 ?
journal, May 2009
- Malliakas, Christos D.; Kanatzidis, Mercouri G.
- Journal of the American Chemical Society, Vol. 131, Issue 20
Distorted Square Nets of Tellurium in the Novel Quaternary Polytelluride K0.33Ba0.67AgTe2
journal, October 1995
- Zhang, Xiang; Li, Jing; Foran, Brendan
- Journal of the American Chemical Society, Vol. 117, Issue 42
Crystal structure, magnetic properties and band gap measurements of NdTe 2- x ( x =0.11(1))
journal, April 2001
- Stöwe, K.
- Zeitschrift für Kristallographie - Crystalline Materials, Vol. 216, Issue 4
Works referencing / citing this record:
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journal, November 2019
- Jin, Geng Bang; Malliakas, Christos D.; Hu, Yung‐Jin
- Angewandte Chemie International Edition, Vol. 58, Issue 45
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journal, September 2019
- Jin, Geng Bang; Malliakas, Christos D.; Hu, Yung‐Jin
- Angewandte Chemie, Vol. 131, Issue 45