Bandgap closure and reopening in CsAuI3 at high pressure

Wang, Shibing; Kemper, Alexander F.; Baldini, Maria; Shapiro, M. C.; Riggs, Scott C.; Zhao, Zhao; Liu, Zhenxian; Devereaux, Thomas P.; Geballe, Ted H.; Fisher, Ian R.; Mao, Wendy L.

doi:10.1103/PhysRevB.89.245109

Title: Bandgap closure and reopening in ${CsAuI}_{3}$ at high pressure

Journal Article · Sun Jun 01 00:00:00 EDT 2014 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.89.245109· OSTI ID:1385720

Wang, Shibing; Kemper, Alexander F.; Baldini, Maria; Shapiro, M. C.; Riggs, Scott C.; Zhao, Zhao; Liu, Zhenxian; Devereaux, Thomas P.; Geballe, Ted H.; Fisher, Ian R.; Mao, Wendy L.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (EFree)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: SC0001057

OSTI ID:: 1385720

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Vol. 89, Issue 24; Related Information: EFree partners with Carnegie Institution of Washington (lead); California Institute of Technology; Colorado School of Mines; Cornell University; Lehigh University; Pennsylvania State University; ISSN 1098-0121

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

References (17)

P-T Phase Diagram and Gold Valence State of the Perovskite-Type Mixed-Valence Compounds Cs2Au2X6 (X = Cl, Br, and I) under High Pressures Kojima, N.; Hasegawa, M.; Kitagawa, H. Journal of the American Chemical Society, Vol. 116, Issue 25 https://doi.org/10.1021/ja00104a016	journal	December 1994
Pressure suppression of charge order without metallisation in Cs2Au2I6 Kusmartseva, Anna F.; Yang, Minghui; Arevalo-Lopez, Angel M. Chemical Communications, Vol. 46, Issue 36 https://doi.org/10.1039/c0cc01708f	journal	January 2010
Electronic structure of the gold complexes ${Cs}_{2} {Au}_{2} X_{6} (X$ =I, Br, and Cl) Liu, X. J.; Matsuda, K.; Moritomo, Y. Physical Review B, Vol. 59, Issue 12 https://doi.org/10.1103/PhysRevB.59.7925	journal	March 1999
Single crystal growth by self-flux method of the mixed valence gold halides Cs2[AuIX2][AuIIIX4] (X=Br,I) Riggs, Scott C.; Shapiro, M. C.; Corredor, F. Journal of Crystal Growth, Vol. 355, Issue 1 https://doi.org/10.1016/j.jcrysgro.2012.06.039	journal	September 2012
Single crystal X-ray diffraction study of a mixed-valence gold compound, Cs2AuIAuIIICl6 under high pressures up to 18GPa: Pressure-induced phase transition coupled with gold valence transition Matsushita, Nobuyuki; Ahsbahs, Hans; Hafner, Stefan S. Journal of Solid State Chemistry, Vol. 180, Issue 4 https://doi.org/10.1016/j.jssc.2007.01.037	journal	April 2007
Ultrafast pump-probe measurements of short small-polaron lifetimes in the mixed-valence perovskite Cs $_{2}$ Au $_{2}$ I $_{6}$ under high pressures Trigo, M.; Chen, J.; Jiang, M. P. Physical Review B, Vol. 85, Issue 8 https://doi.org/10.1103/PhysRevB.85.081102	journal	February 2012
High-pressure synchrotron x-ray diffraction and infrared microspectroscopy: applications to dense hydrous phases Liu, Z.; Hu, J.; Yang, H. Journal of Physics: Condensed Matter, Vol. 14, Issue 44 https://doi.org/10.1088/0953-8984/14/44/349	journal	October 2002
P–T phase diagram and Au valence state of the perovskite-type Au mixed-valence complexes M2[AuIX2][AuIIIX4] (M=K, Rb, Cs; X=Cl, Br, I) Kojima, N.; Matsushita, N. Coordination Chemistry Reviews, Vol. 198, Issue 1 https://doi.org/10.1016/S0010-8545(99)00195-2	journal	March 2000
Signatures of a Pressure-Induced Topological Quantum Phase Transition in BiTeI Xi, Xiaoxiang; Ma, Chunli; Liu, Zhenxian Physical Review Letters, Vol. 111, Issue 15 https://doi.org/10.1103/PhysRevLett.111.155701	journal	October 2013
Pressure-induced phase transition in mixed-valence gold complexes Cs2Au2X6 (X=Cl and Br) Liu, X. J.; Moritomo, Y.; Nakamura, A. The Journal of Chemical Physics, Vol. 110, Issue 18 https://doi.org/10.1063/1.478839	journal	May 1999
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
Inelastic light scattering from correlated electrons Devereaux, Thomas P.; Hackl, Rudi Reviews of Modern Physics, Vol. 79, Issue 1 https://doi.org/10.1103/RevModPhys.79.175	journal	January 2007
Gold Valence Transition and Phase Diagram in the Mixed-Valence Complexes, M ₂ [Au ^I X ₂ ][Au ^III X ₄ ] (M = Rb, Cs; X = Cl, Br, and I) Kojima, Norimichi Bulletin of the Chemical Society of Japan, Vol. 73, Issue 7 https://doi.org/10.1246/bcsj.73.1445	journal	July 2000
Charge density study under high pressure Sakata, Makoto; Itsubo, Takafumi; Nishibori, Eiji Journal of Physics and Chemistry of Solids, Vol. 65, Issue 12 https://doi.org/10.1016/j.jpcs.2004.08.028	journal	December 2004
Pressure-induced symmetry breaking in tetragonal CsAuI $_{3}$ Wang, Shibing; Hirai, Shigeto; Shapiro, Max C. Physical Review B, Vol. 87, Issue 5 https://doi.org/10.1103/PhysRevB.87.054104	journal	February 2013
Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions Mao, H. K.; Xu, J.; Bell, P. M. Journal of Geophysical Research, Vol. 91, Issue B5, p. 4673-4676 https://doi.org/10.1029/JB091iB05p04673	journal	January 1986
Optical Conductivity and Electronic Structure of CeRu ₄ Sb ₁₂ under High Pressure Okamura, Hidekazu; Kitamura, Ryosuke; Matsunami, Masaharu Journal of the Physical Society of Japan, Vol. 80, Issue 8 https://doi.org/10.1143/JPSJ.80.084718	journal	August 2011

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Title: Bandgap closure and reopening in CsAuI 3 at high pressure

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References (17)

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Title: Bandgap closure and reopening in ${CsAuI}_{3}$ at high pressure