Stability of numerous novel potassium chlorides at high pressure

Zhang, Weiwei; Oganov, Artem R.; Zhu, Qiang; Lobanov, Sergey S.; Stavrou, Elissaios; Goncharov, Alexander F.

doi:10.1038/srep26265

Title: Stability of numerous novel potassium chlorides at high pressure

Journal Article · Mon May 23 00:00:00 EDT 2016 · Scientific Reports

DOI:https://doi.org/10.1038/srep26265· OSTI ID:1262429

Zhang, Weiwei; Oganov, Artem R.; Zhu, Qiang; Lobanov, Sergey S.; Stavrou, Elissaios; Goncharov, Alexander F.

Cite

Export

Save

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: FOREIGN

OSTI ID:: 1262429

Journal Information:: Scientific Reports, Vol. 6, Issue 2016; ISSN 2045-2322

Publisher:: Nature Publishing Group

Country of Publication:: United States

Language:: ENGLISH

References (25)

How Evolutionary Crystal Structure Prediction Works—and Why Oganov, Artem R.; Lyakhov, Andriy O.; Valle, Mario Accounts of Chemical Research, Vol. 44, Issue 3 https://doi.org/10.1021/ar1001318	journal	March 2011
Reaction kinetics of CO2 absorption in to phosphonium based anion-functionalized ionic liquids Gurkan, Burcu E.; Gohndrone, Thomas R.; McCready, Mark J. Physical Chemistry Chemical Physics, Vol. 15, Issue 20 https://doi.org/10.1039/c3cp51289d	journal	January 2013
The electronic structure of the lithium trimer anion and cation Gole, J. L.; Childs, R. H.; Dixon, D. A. The Journal of Chemical Physics, Vol. 72, Issue 12 https://doi.org/10.1063/1.439161	journal	June 1980
A little bit of lithium does a lot for hydrogen Zurek, E.; Hoffmann, R.; Ashcroft, N. W. Proceedings of the National Academy of Sciences, Vol. 106, Issue 42 https://doi.org/10.1073/pnas.0908262106	journal	October 2009
Ab initio molecular dynamics study of pressure-induced phase transformation in KCl Durandurdu, Murat Computational Materials Science, Vol. 48, Issue 3 https://doi.org/10.1016/j.commatsci.2010.02.038	journal	May 2010
Low- and high-pressure ab initio equations of state for the alkali chlorides Recio, J. M.; Pendás, A. Martín; Francisco, E. Physical Review B, Vol. 48, Issue 9 https://doi.org/10.1103/physrevb.48.5891	journal	September 1993
Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials Oganov, A. R.; Ma, Y.; Lyakhov, A. O. Reviews in Mineralogy and Geochemistry, Vol. 71, Issue 1 https://doi.org/10.2138/rmg.2010.71.13	journal	January 2010
Pressure-Stabilized Sodium Polyhydrides: ${NaH}_{n}$ ( $n > 1$ ) Baettig, Pio; Zurek, Eva Physical Review Letters, Vol. 106, Issue 23 https://doi.org/10.1103/PhysRevLett.106.237002	journal	June 2011
Unexpected Stable Stoichiometries of Sodium Chlorides Zhang, W.; Oganov, A. R.; Goncharov, A. F. Science, Vol. 342, Issue 6165 https://doi.org/10.1126/science.1244989	journal	December 2013
High-pressure synthesis of lithium hydride Howie, Ross T.; Narygina, Olga; Guillaume, Christophe L. Physical Review B, Vol. 86, Issue 6 https://doi.org/10.1103/PhysRevB.86.064108	journal	August 2012
Stable magnesium peroxide at high pressure Lobanov, Sergey S.; Zhu, Qiang; Holtgrewe, Nicholas Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep13582	journal	September 2015
High-pressure–high-temperature equation of state of KCl and KBr Dewaele, A.; Belonoshko, A. B.; Garbarino, G. Physical Review B, Vol. 85, Issue 21 https://doi.org/10.1103/PhysRevB.85.214105	journal	June 2012
IR spectroscopy of alkali halides at very high pressures: Calculation of equations of state and of the response of bulk moduli to the $B 1 - B 2$ phase transition Hofmeister, A. M. Physical Review B, Vol. 56, Issue 10 https://doi.org/10.1103/PhysRevB.56.5835	journal	September 1997
Thermodynamics and mechanism of the $B 1$ - $B 2$ phase transition in group-I halides and group-II oxides Sims, C. E.; Barrera, G. D.; Allan, N. L. Physical Review B, Vol. 57, Issue 18 https://doi.org/10.1103/PhysRevB.57.11164	journal	May 1998
Pressure‐Induced Phase Transformation in NaCl Bassett, William A.; Takahashi, Taro; Mao, Ho‐Kwang Journal of Applied Physics, Vol. 39, Issue 1 https://doi.org/10.1063/1.1655752	journal	January 1968
Structural properties of NaCl Froyen, Sverre; Cohen, Marvin L. Physical Review B, Vol. 29, Issue 6 https://doi.org/10.1103/PhysRevB.29.3770	journal	March 1984
Crystal structure prediction using ab initio evolutionary techniques: Principles and applications Oganov, Artem R.; Glass, Colin W. The Journal of Chemical Physics, Vol. 124, Issue 24 https://doi.org/10.1063/1.2210932	journal	June 2006
New developments in evolutionary structure prediction algorithm USPEX Lyakhov, Andriy O.; Oganov, Artem R.; Stokes, Harold T. Computer Physics Communications, Vol. 184, Issue 4 https://doi.org/10.1016/j.cpc.2012.12.009	journal	April 2013
Anharmonic phonons of NaZr $_{2}$ (PO $_{4}$ ) $_{3}$ studied by Raman spectroscopy, first-principles calculations, and x-ray diffraction Kamali, K.; Ravindran, T. R.; Ravi, C. Physical Review B, Vol. 86, Issue 14 https://doi.org/10.1103/PhysRevB.86.144301	journal	October 2012
Structural aspects of dense solid halogens under high pressure studied by x-ray diffraction—Molecular dissociation and metallization Fujihisa, Hiroshi; Fujii, Yasuhiko; Takemura, Kenichi Journal of Physics and Chemistry of Solids, Vol. 56, Issue 10 https://doi.org/10.1016/0022-3697(95)00081-X	journal	October 1995
Infrared and Raman spectra of the M ⁺ Cl ₃ ⁻ ion pairs and their chlorine–bromine counterparts isolated in argon matrices Ault, Bruce S.; Andrews, Lester The Journal of Chemical Physics, Vol. 64, Issue 12 https://doi.org/10.1063/1.432141	journal	June 1976
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
STM3: a chemistry visualization platform Valle, Mario Zeitschrift für Kristallographie - Crystalline Materials, Vol. 220, Issue 5-6 https://doi.org/10.1524/zkri.220.5.585.65068	journal	May 2005

Cited By (1)

Correspondence: Reply to ‘Strongly-driven Re+CO2 redox reaction at high-pressure and high-temperature’ Santoro, Mario; Gorelli, Federico A.; Bini, Roberto Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13538	journal	November 2016

Similar Records

Stability of numerous novel potassium chlorides at high pressure

Journal Article · Mon May 23 00:00:00 EDT 2016 · Scientific Reports · OSTI ID:1262429

Zhang, Weiwei; Oganov, Artem R.; Lobanov, Sergey S.; +3 more

Partial molal volumes of potassium chloride, potassium bromide, and potassium sulfate in sodium chloride solutions. [Ambient pressure, 25/sup 0/C, experimental data]

Journal Article · Fri Jan 01 00:00:00 EST 1937 · J. Am. Chem. Soc.; (United States) · OSTI ID:1262429

Wirth, H E

Stabilization of hexazine rings in potassium polynitride at high pressure

Journal Article · Fri Apr 01 00:00:00 EDT 2022 · Nat. Chem. · OSTI ID:1262429

Wang, Yu; Bykov, Maxim; Chepkasov, Ilya; +9 more

Title: Stability of numerous novel potassium chlorides at high pressure

Citation Formats

References (25)

Cited By (1)

Similar Records

Related Subjects