High-pressure polymorphism of PbF2 to 75 GPa

Stan, Camelia V.; Dutta, Rajkrishna; White, Claire E.; Prakapenka, Vitali; Duffy, Thomas S.

doi:10.1103/PhysRevB.94.024104

Title: High-pressure polymorphism of $Pb F_{2}$ to 75 GPa

Journal Article · Wed Jul 06 00:00:00 EDT 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.94.024104· OSTI ID:1440934

Stan, Camelia V. ^[1]; Dutta, Rajkrishna ^[2]; White, Claire E. ^[3]; Prakapenka, Vitali ^[4]; Duffy, Thomas S. ^[2]

Princeton Univ., NJ (United States). Dept. of Chemistry
Princeton Univ., NJ (United States). Dept. of Geosciences
Princeton Univ., NJ (United States). Dept. of Civil and Environmental Engineering and Andlinger Center for Energy and the Environment
Argonne National Lab. (ANL) and Univ. of Chicago, Argonne, IL (United States). GeoSoilEnviroCARS

Lead fluoride, PbF₂, was investigated experimentally in the laser-heated diamond anvil cell by x-ray diffraction to pressures of 75 GPa at room temperature and to 64.5 GPa and 2430 K, as well as through first-principles density functional theory calculations up to 70 GPa. During room temperature compression, no discontinuous changes in the x-ray diffraction pattern or volume were observed, but the lattice parameters displayed highly anomalous trends between 10-22 GPa with enhanced compressibility along the a direction and reduced or even negative compressibility along b and c. Theoretical calculations of valence electron densities at 22 GPa showed that α-PbF₂ underwent a pressure-induced isosymmetric phase transition to a postcotunnite Co₂Si structure and also revealed the detailed atomic rearrangements associated with the development of an extra Pb-F bond in the high-pressure phase. Our x-ray results and theoretical calculations are consistent with an isosymmetric phase transition smoothly occurring over 10-22 GPa rather than abruptly as previously suggested. The characteristic values for the cell constants a/c and (a+c)/b, which are used to distinguish among cotunnite-, Co₂Si-, and Ni₂In-type phases, require modification based on our results. An equation of state fit yields a bulk modulus, K₀, of 72(3) GPa for the cotunnite-type, and an ambient-pressure volume, V₀, of 182(2)Å³, and K₀=81(4)GPa for the Co₂Si-type phase when fixing the pressure derivative of the bulk modulus, K₀'=4. Upon heating above 1200 K at pressures at or above 25.9 GPa, PbF₂ partially transformed to the hexagonal Ni₂In-type phase but wholly or partially reverted back to Co₂Si-type phase upon temperature quench. From 43-65 GPa, nearly complete transformation to the Ni₂In-type PbF₂ was observed at high temperature, but the material partially transformed back to the orthorhombic phase upon temperature quench. Our results show that high-pressure behavior of PbF₂ is distinct from that of the alkaline earth fluorides with similar ionic radii. These results also have relevance to understanding the behavior of lanthanide and actinide dioxides, which have been predicted theoretically to exhibit similar isosymmetric transitions at Mbar pressures.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; National Science Foundation (NSF)

Grant/Contract Number:: AC02-05CH11231; EAR-1415321; AC02-06CH11357; EAR-1128799; FG02-94ER14466

OSTI ID:: 1440934

Alternate ID(s):: OSTI ID: 1260434

Journal Information:: Physical Review B, Vol. 94, Issue 2; Related Information: © 2016 American Physical Society.; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 8 works

Citation information provided by
Web of Science

References (92)

The Ge-Mn (Germanium-Manganese) system Gokhale, A. B.; Abbaschian, R. Journal of Phase Equilibria, Vol. 11, Issue 5 https://doi.org/10.1007/BF02898261	journal	October 1990
Single-crystal elastic constants of fluorite (CaF 2 ) to 9.3 GPa Speziale, S.; Duffy, T. S. Physics and Chemistry of Minerals, Vol. 29, Issue 7 https://doi.org/10.1007/s00269-002-0250-x	journal	August 2002
The Pt-Y (Platinum-Yttrium) system Palenzona, A.; Cirafici, S. Journal of Phase Equilibria, Vol. 11, Issue 5 https://doi.org/10.1007/BF02898267	journal	October 1990
A Phase Investigation of the Rh-Ga-As System Schulz, K. J.; Musbah, O. A.; Chang, Y. A. Journal of Phase Equilibria, Vol. 12, Issue 1 https://doi.org/10.1007/BF02663665	journal	February 1991
Correcting overbinding in local-density-approximation calculations van de Walle, A.; Ceder, G. Physical Review B, Vol. 59, Issue 23 https://doi.org/10.1103/PhysRevB.59.14992	journal	June 1999
The Al−Gd (Aluminum-Gadolinium) system Gschneidner, K. A.; Calderwood, F. W. Bulletin of Alloy Phase Diagrams, Vol. 9, Issue 6 https://doi.org/10.1007/BF02883166	journal	December 1988
First-principles study of ground-state properties and high pressure behavior of ThO2 Wang, Bao-Tian; Shi, Hongliang; Li, Wei-Dong Journal of Nuclear Materials, Vol. 399, Issue 2-3 https://doi.org/10.1016/j.jnucmat.2010.01.017	journal	April 2010
Dissociation of MgSiO3 in the Cores of Gas Giants and Terrestrial Exoplanets Umemoto, K. Science, Vol. 311, Issue 5763 https://doi.org/10.1126/science.1120865	journal	February 2006
The Al−Ho (Aluminum-Holmium) system Gschneidner, K. A.; Calderwood, F. W. Bulletin of Alloy Phase Diagrams, Vol. 9, Issue 6 https://doi.org/10.1007/BF02883167	journal	December 1988
The As-Zr (Arsenic-Zirconium) system Okamoto, H. Bulletin of Alloy Phase Diagrams, Vol. 11, Issue 6 https://doi.org/10.1007/BF02841720	journal	December 1990
The Ni−Si (Nickel-Silicon) system Nash, P.; Nash, A. Bulletin of Alloy Phase Diagrams, Vol. 8, Issue 1 https://doi.org/10.1007/BF02868885	journal	February 1987
High-pressure behavior of ${TiO}_{2}$ as determined by experiment and theory Al-Khatatbeh, Yahya; Lee, Kanani K. M.; Kiefer, Boris Physical Review B, Vol. 79, Issue 13 https://doi.org/10.1103/PhysRevB.79.134114	journal	April 2009
Structural behavior of uranium dioxide under pressure by $LSDA + U$ calculations Geng, H. Y.; Chen, Y.; Kaneta, Y. Physical Review B, Vol. 75, Issue 5 https://doi.org/10.1103/PhysRevB.75.054111	journal	February 2007
The Cs-S (Cesium-Sulfur) system Sangster, J.; Pelton, A. D. Journal of Phase Equilibria, Vol. 18, Issue 1 https://doi.org/10.1007/BF02646760	journal	February 1997
The Al−Er (Aluminum-Erbium) system Gschneidner, K. A.; Calderwood, F. W. Bulletin of Alloy Phase Diagrams, Vol. 9, Issue 6 https://doi.org/10.1007/BF02883164	journal	December 1988
The Al−Dy (Aluminum-Dysprosium) system Gschneidner, K. A.; Calderwood, F. W. Bulletin of Alloy Phase Diagrams, Vol. 9, Issue 6 https://doi.org/10.1007/BF02883163	journal	December 1988
Toward an internally consistent pressure scale Fei, Y.; Ricolleau, A.; Frank, M. Proceedings of the National Academy of Sciences, Vol. 104, Issue 22 https://doi.org/10.1073/pnas.0609013104	journal	May 2007
Pressure-induced phase transition of BaH2 : Post Ni2In phase Kinoshita, K.; Nishimura, M.; Akahama, Y. Solid State Communications, Vol. 141, Issue 2 https://doi.org/10.1016/j.ssc.2006.09.045	journal	January 2007
Neutron diffraction investigation of orthorhombic lead(II) fluoride Boldrini, P.; Loopstra, B. O. Acta Crystallographica, Vol. 22, Issue 5 https://doi.org/10.1107/S0365110X67001458	journal	May 1967
High-pressure phase transition observed in barium hydride Smith, Jesse S.; Desgreniers, Serge; Tse, John S. Journal of Applied Physics, Vol. 102, Issue 4 https://doi.org/10.1063/1.2772427	journal	August 2007
Alternative Descriptions of the C23 (PbCl2), C37 (Co2Si), B8b (Ni2In) and Related Structure Types. Hyde, B. G.; O'Keeffe, M.; Lyttle, W. M. Acta Chemica Scandinavica, Vol. 46 https://doi.org/10.3891/acta.chem.scand.46-0216	journal	January 1992
Unit cell refinement from powder diffraction data: the use of regression diagnostics Holland, T. J. B.; Redfern, S. A. T. Mineralogical Magazine, Vol. 61, Issue 404 https://doi.org/10.1180/minmag.1997.061.404.07	journal	February 1997
The Si-Sr (Silicon-Strontium) system Itkin, V. P.; Alcock, C. B. Bulletin of Alloy Phase Diagrams, Vol. 10, Issue 6 https://doi.org/10.1007/BF02877630	journal	December 1989
Ionic conductivity, activation volumes, and high-pressure phase transitions in Pb $F_{2}$ and Sr ${Cl}_{2}$ Oberschmidt, J.; Lazarus, D. Physical Review B, Vol. 21, Issue 7 https://doi.org/10.1103/PhysRevB.21.2952	journal	April 1980
The Co-P (Cobalt-Phosphorus) system Ishida, K.; Nishizawa, T. Bulletin of Alloy Phase Diagrams, Vol. 11, Issue 6 https://doi.org/10.1007/BF02841716	journal	December 1990
Pressure induced structural phase transitions and metallization of BaF2 Kanchana, V.; Vaitheeswaran, G.; Rajagopalan, M. Journal of Alloys and Compounds, Vol. 359, Issue 1-2 https://doi.org/10.1016/S0925-8388(03)00212-3	journal	September 2003
The Pt−Pu (Platinum-Plutonium) system Peterson, D. E. Bulletin of Alloy Phase Diagrams, Vol. 10, Issue 4 https://doi.org/10.1007/BF02882384	journal	August 1989
High-pressure phases of ${PbF}_{2} :$ A joint experimental and theoretical study Lorenzana, H. E.; Klepeis, J. E.; Lipp, M. J. Physical Review B, Vol. 56, Issue 2 https://doi.org/10.1103/PhysRevB.56.543	journal	July 1997
The Temperature Dependence of Hardness of Ll<SUB>2</SUB> Ordered Alloys Wee, Dang-Moon; Suzuki, Tomoo Transactions of the Japan Institute of Metals, Vol. 20, Issue 11 https://doi.org/10.2320/matertrans1960.20.634	journal	January 1979
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration Prescher, Clemens; Prakapenka, Vitali B. High Pressure Research, Vol. 35, Issue 3 https://doi.org/10.1080/08957959.2015.1059835	journal	May 2015
Phase transition of cadmium fluoride under high pressure Liu, Guangtao; Wang, Hui; Ma, Yanmei Solid State Communications, Vol. 151, Issue 24 https://doi.org/10.1016/j.ssc.2011.09.027	journal	December 2011
Lattice dynamics and elastic properties of PbF$\mathsf{_2}$ and BaF$\mathsf{_2}$ from quantum mechanical calculations Dubinin, A.; Winkler, B.; Knorr, K. The European Physical Journal B, Vol. 39, Issue 1 https://doi.org/10.1140/epjb/e2004-00166-1	journal	May 2004
The Fe-P (iron-phosphorus) system Okamoto, H. Bulletin of Alloy Phase Diagrams, Vol. 11, Issue 4 https://doi.org/10.1007/BF02843320	journal	August 1990
Optical spectra and electronic structures of lead halides Fujita, M.; Itoh, M.; Bokumoto, Y. Physical Review B, Vol. 61, Issue 23 https://doi.org/10.1103/PhysRevB.61.15731	journal	June 2000
The sntiv system (tintitaniumvanadium) Enomoto, M. Journal of Phase Equilibria, Vol. 12, Issue 3 https://doi.org/10.1007/BF02649928	journal	June 1991
High-pressure structures and vibrational spectra of barium fluoride: Results obtained under nearly hydrostatic conditions Smith, Jesse S.; Desgreniers, Serge; Tse, John S. Physical Review B, Vol. 79, Issue 13 https://doi.org/10.1103/PhysRevB.79.134104	journal	April 2009
High-pressure phases in ${SnO}_{2}$ to 117 GPa Shieh, Sean R.; Kubo, Atsushi; Duffy, Thomas S. Physical Review B, Vol. 73, Issue 1 https://doi.org/10.1103/PhysRevB.73.014105	journal	January 2006
First-principle study on structural and electronic properties of CeO $_{2}$ and ThO $_{2}$ under high pressures Song, Hong X.; Liu, Lei; Geng, Hua Y. Physical Review B, Vol. 87, Issue 18 https://doi.org/10.1103/PhysRevB.87.184103	journal	May 2013
The Ca-Hg (calcium-mercury) system Guminski, C. Journal of Phase Equilibria, Vol. 14, Issue 1 https://doi.org/10.1007/BF02652166	journal	February 1993
Structural and Valence Changes of Europium Hydride Induced by Application of High-Pressure $H_{2}$ Matsuoka, T.; Fujihisa, H.; Hirao, N. Physical Review Letters, Vol. 107, Issue 2 https://doi.org/10.1103/PhysRevLett.107.025501	journal	July 2011
The Ni-Rh-Ta (Nickel-Rhodium-Tantalum) system Gupta, K. P. Journal of Phase Equilibria, Vol. 24, Issue 6 https://doi.org/10.1361/105497103772084732	journal	December 2003
Calcium hydride and deuteride studied by neutron diffraction and NMR Andresen, A. F.; Maeland, A. J.; Slotfeldt-Ellingsen, D. Journal of Solid State Chemistry, Vol. 20, Issue 1 https://doi.org/10.1016/0022-4596(77)90055-X	journal	January 1977
The In-Sb (Indium-Antimony) system Sharma, R. C.; Ngai, T. L.; Chang, Y. A. Bulletin of Alloy Phase Diagrams, Vol. 10, Issue 6 https://doi.org/10.1007/BF02877639	journal	December 1989
Self-Consistent Equations Including Exchange and Correlation Effects Kohn, W.; Sham, L. J. Physical Review, Vol. 140, Issue 4A, p. A1133-A1138 https://doi.org/10.1103/PhysRev.140.A1133	journal	November 1965
The Ga−Ti (Gallium-Titanium) system Murray, J. L. Bulletin of Alloy Phase Diagrams, Vol. 6, Issue 4 https://doi.org/10.1007/BF02880510	journal	August 1985
The crystal structure of Co2Si Geller, S.; Wolontis, V. M. Acta Crystallographica, Vol. 8, Issue 2 https://doi.org/10.1107/S0365110X55000352	journal	February 1955
The Cs-Se(Cesium-Selenium)system Sangster, J.; Pelton, A. D. Journal of Phase Equilibria, Vol. 18, Issue 2 https://doi.org/10.1007/BF02665701	journal	April 1997
The ytterbium-gallium system Palenzona, A.; Cirafici, S. Journal of the Less Common Metals, Vol. 63, Issue 1 https://doi.org/10.1016/0022-5088(79)90213-3	journal	January 1979
The crystal structure of MoCoB and related compounds Jeitschko, W. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 24, Issue 7 https://doi.org/10.1107/S0567740868003432	journal	July 1968
Elastic constants of cubic lead fluoride from 300 to 850 K Manasreh, M. O.; Pederson, D. O. Physical Review B, Vol. 30, Issue 6 https://doi.org/10.1103/PhysRevB.30.3482	journal	September 1984
The Pb-Yb (Lead-Ytterbium) system Palenzona, A.; Cirafici, S. Journal of Phase Equilibria, Vol. 12, Issue 4 https://doi.org/10.1007/BF02645975	journal	August 1991
The Sn-Yb (Tin-Ytterbium) system Palenzona, A.; Cirafici, S. Journal of Phase Equilibria, Vol. 12, Issue 4 https://doi.org/10.1007/BF02645976	journal	August 1991
High-pressure phase transformations in CaH ₂ Li, Yinwei; Li, Bing; Cui, Tian Journal of Physics: Condensed Matter, Vol. 20, Issue 4 https://doi.org/10.1088/0953-8984/20/04/045211	journal	January 2008
High-pressure isosymmetric phase transition in orthorhombic lead fluoride Haines, J.; Léger, J. M.; Schulte, O. Physical Review B, Vol. 57, Issue 13 https://doi.org/10.1103/PhysRevB.57.7551	journal	April 1998
Temperature and pressure dependences of the dielectric properties of Pb $F_{2}$ and the alkaline-earth fluorides Samara, G. A. Physical Review B, Vol. 13, Issue 10 https://doi.org/10.1103/PhysRevB.13.4529	journal	May 1976
The In−Ni (Indium-Nickel) system Singleton, M. F.; Nash, P. Bulletin of Alloy Phase Diagrams, Vol. 9, Issue 5 https://doi.org/10.1007/BF02881962	journal	October 1988
First-principles study of the electronic structure of PbF ₂ in the cubic, orthorhombic, and hexagonal phases Jiang, Huitian; Orlando, Roberto; Blanco, Miguel A. Journal of Physics: Condensed Matter, Vol. 16, Issue 18 https://doi.org/10.1088/0953-8984/16/18/009	journal	April 2004
Crystal structure and compressibility of lead dioxide up to 140 GPa Grocholski, B.; Shim, S. -H.; Cottrell, E. American Mineralogist, Vol. 99, Issue 1 https://doi.org/10.2138/am.2014.4596	journal	January 2014
Behavior of actinide dioxides under pressure: $U O_{2}$ and $Th O_{2}$ Idiri, M.; Le Bihan, T.; Heathman, S. Physical Review B, Vol. 70, Issue 1 https://doi.org/10.1103/PhysRevB.70.014113	journal	July 2004
High-pressure x-ray- and neutron-diffraction studies of ${BaF}_{2}$ : An example of a coordination number of 11 in ${AX}_{2}$ compounds Leger, J. M.; Haines, J.; Atouf, A. Physical Review B, Vol. 52, Issue 18 https://doi.org/10.1103/PhysRevB.52.13247	journal	November 1995
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
Advanced flat top laser heating system for high pressure research at GSECARS: application to the melting behavior of germanium Prakapenka, V. B.; Kubo, A.; Kuznetsov, A. High Pressure Research, Vol. 28, Issue 3 https://doi.org/10.1080/08957950802050718	journal	September 2008
The ga-yb (gallium-ytterbium) system Palenzona, A.; Cirafici, S. Journal of Phase Equilibria, Vol. 13, Issue 1 https://doi.org/10.1007/BF02645373	journal	February 1992
The Al-Sm (Aluminum-Samarium) system Gschneidner, K. A.; Calderwood, F. W. Bulletin of Alloy Phase Diagrams, Vol. 10, Issue 1 https://doi.org/10.1007/BF02882171	journal	February 1989
Pressure and temperature dependences of the ionic conductivities of cubic and orthorhombic lead fluoride (PbF2) Samara, G. A. Journal of Physics and Chemistry of Solids, Vol. 40, Issue 7 https://doi.org/10.1016/0022-3697(79)90079-9	journal	January 1979
The Al-Tb (Aluminum-Terbium) system Gschneidner, K. A.; Calderwood, F. W. Bulletin of Alloy Phase Diagrams, Vol. 10, Issue 1 https://doi.org/10.1007/BF02882172	journal	February 1989
The Ge−Ni (Germanium-Nickel) system Nash, A.; Nash, P. Bulletin of Alloy Phase Diagrams, Vol. 8, Issue 3 https://doi.org/10.1007/BF02874917	journal	June 1987
The Al-Y (Aluminum-Yttrium) system Gschneidner, K. A.; Calderwood, F. W. Bulletin of Alloy Phase Diagrams, Vol. 10, Issue 1 https://doi.org/10.1007/BF02882174	journal	February 1989
The Al−Pd (Aluminum-Palladium) system McAlister, A. J. Bulletin of Alloy Phase Diagrams, Vol. 7, Issue 4 https://doi.org/10.1007/BF02873025	journal	August 1986
The Ca-Pb (calcium-lead) system Itkin, V. P.; Alcock, C. B. Journal of Phase Equilibria, Vol. 13, Issue 2 https://doi.org/10.1007/BF02667480	journal	April 1992
The hardest known oxide Dubrovinsky, L. S.; Dubrovinskaia, N. A.; Swamy, V. Nature, Vol. 410, Issue 6829 https://doi.org/10.1038/35070650	journal	April 2001
Inhomogeneous Electron Gas Hohenberg, P.; Kohn, W. Physical Review, Vol. 136, Issue 3B, p. B864-B871 https://doi.org/10.1103/PhysRev.136.B864	journal	November 1964
The Gd-In (Gadolinium-Indium) system Palenzona, A.; Cirafici, S. Bulletin of Alloy Phase Diagrams, Vol. 10, Issue 3 https://doi.org/10.1007/BF02877502	journal	June 1989
High-pressure X-ray diffraction study on α-PbF2 Ehm, L.; Knorr, K.; Mädler, F. Journal of Physics and Chemistry of Solids, Vol. 64, Issue 6 https://doi.org/10.1016/S0022-3697(02)00437-7	journal	June 2003
Hydrostatic limits of 11 pressure transmitting media Klotz, S.; Chervin, J-C.; Munsch, P. Journal of Physics D: Applied Physics, Vol. 42, Issue 7, Article No. 075413 https://doi.org/10.1088/0022-3727/42/7/075413	journal	March 2009
High-density strontium hydride: An experimental and theoretical study Smith, Jesse S.; Desgreniers, Serge; Klug, Dennis D. Solid State Communications, Vol. 149, Issue 21-22 https://doi.org/10.1016/j.ssc.2009.03.021	journal	June 2009
Theoretical and experimental evidence for the post-cotunnite phase transition in zirconia at high pressure Nishio-Hamane, Daisuke; Dekura, Haruhiko; Seto, Yusuke Physics and Chemistry of Minerals, Vol. 42, Issue 5 https://doi.org/10.1007/s00269-014-0728-3	journal	December 2014
X-ray diffraction investigations of CaF ₂ at high pressure Gerward, L.; Olsen, J. S.; Steenstrup, S. Journal of Applied Crystallography, Vol. 25, Issue 5 https://doi.org/10.1107/S0021889892004096	journal	October 1992
NeueE-Phasen Ganglberger, E.; Nowotny, H.; Benesovsky, F. Monatshefte f�r Chemie, Vol. 98, Issue 1 https://doi.org/10.1007/BF00901102	journal	January 1967
The Al-Zr (aluminum-zirconium) system Murray, J.; Peruzzi, A.; Abriata, J. P. Journal of Phase Equilibria, Vol. 13, Issue 3 https://doi.org/10.1007/BF02667556	journal	June 1992
High-pressure experimental study on Rb ₂ S: antifluorite to Ni ₂ In-type phase transitions Santamaria-Perez, David; Vegas, Angel; Muehle, Claus Acta Crystallographica Section B Structural Science, Vol. 67, Issue 2 https://doi.org/10.1107/S010876811005370X	journal	February 2011
Theoretical characterization of the high-pressure phases of ${PbF}_{2}$ Costales, Aurora; Blanco, M. A.; Pandey, Ravindra Physical Review B, Vol. 61, Issue 17 https://doi.org/10.1103/PhysRevB.61.11359	journal	May 2000
Ground State of the Electron Gas by a Stochastic Method Ceperley, D. M.; Alder, B. J. Physical Review Letters, Vol. 45, Issue 7, p. 566-569 https://doi.org/10.1103/PhysRevLett.45.566	journal	August 1980
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism Vanderbilt, David Physical Review B, Vol. 41, Issue 11, p. 7892-7895 https://doi.org/10.1103/PhysRevB.41.7892	journal	April 1990
The Co-Ge (Cobalt-Germanium) System Ishida, K.; Nishizawa, T. Journal of Phase Equilibria, Vol. 12, Issue 1 https://doi.org/10.1007/BF02663679	journal	February 1991
The Al-Nd (Aluminum-Neodymium) system Gschneidener, K. A.; Calderwood, F. W. Bulletin of Alloy Phase Diagrams, Vol. 10, Issue 1 https://doi.org/10.1007/BF02882168	journal	February 1989
Phase transitions and equations of state of alkaline earth fluorides ${CaF}_{2}$ , ${SrF}_{2}$ , and ${BaF}_{2}$ to Mbar pressures Dorfman, Susannah M.; Jiang, Fuming; Mao, Zhu Physical Review B, Vol. 81, Issue 17 https://doi.org/10.1103/PhysRevB.81.174121	journal	May 2010
The Al-Pr system (Aluminum-Praseodymium) Gschneidner, K. A.; Calderwood, F. W. Bulletin of Alloy Phase Diagrams, Vol. 10, Issue 1 https://doi.org/10.1007/BF02882169	journal	February 1989
Pressure-induced group-subgroup phase transitions and post-cotunnite phases in actinide dioxides Song, Hong X.; Geng, Hua Y.; Wu, Q. Physical Review B, Vol. 85, Issue 6 https://doi.org/10.1103/PhysRevB.85.064110	journal	February 2012
Structural stability of silica at high pressures and temperatures Oganov, Artem R.; Gillan, Michael J.; Price, G. David Physical Review B, Vol. 71, Issue 6 https://doi.org/10.1103/PhysRevB.71.064104	journal	February 2005
Electronic and elastic properties of CaF ₂ under high pressure from ab initio calculations Shi, H.; Luo, W.; Johansson, B. Journal of Physics: Condensed Matter, Vol. 21, Issue 41 https://doi.org/10.1088/0953-8984/21/41/415501	journal	September 2009
Two-dimensional detector software: From real detector to idealised image or two-theta scan Hammersley, A. P.; Svensson, S. O.; Hanfland, M. High Pressure Research, Vol. 14, Issue 4-6, p. 235-248 https://doi.org/10.1080/08957959608201408	journal	January 1996

Cited By (1)

Contributed Review: Culet diameter and the achievable pressure of a diamond anvil cell: Implications for the upper pressure limit of a diamond anvil cell O’Bannon, Earl F.; Jenei, Zsolt; Cynn, Hyunchae Review of Scientific Instruments, Vol. 89, Issue 11 https://doi.org/10.1063/1.5049720	journal	November 2018

Similar Records

Equation of state, phase transitions, and band-gap closure in PbCl2 and SnCl2

Journal Article · Thu Apr 20 00:00:00 EDT 2023 · Physical Review. B · OSTI ID:1440934

Smart, T. J.; O’Bannon, E. F.; Diamond, M. R.; +4 more

Phase Transitions and Equations of State of Alkaline Earth Fluorides CaF2 SrF2 and BaF2 to Mbar Pressures

Journal Article · Sat Dec 31 00:00:00 EST 2011 · Physical Review. B, Condensed Matter and Materials Physics · OSTI ID:1440934

Dorfman, S; Jiang, F; Mao, Z; +4 more

Phase transitions and equations of state of alkaline earth fluorides CaF[subscript 2], SrF[subscript 2], and BaF[subscript 2] to Mbar pressures

Journal Article · Mon Jun 14 00:00:00 EDT 2010 · Phys. Rev. B · OSTI ID:1440934

Dorfman, Susannah M; Jiang, Fuming; Mao, Zhu; +4 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
pressure effects
solid-solid transformations
density functional theory
x-ray defraction

Title: High-pressure polymorphism of Pb F 2 to 75 GPa

Citation Formats

References (92)

Cited By (1)

Similar Records

Related Subjects

Title: High-pressure polymorphism of $Pb F_{2}$ to 75 GPa