Publications

Razvan Caracas on Google Scholar


Papers

 

Articles (peer-reviewed)

  1. Hydrogen mobility in transition zone silicates
    Razvan Caracas and Wendy R. Panero
    Progress in Earth and Planetary Sciences, 4, 9 (2017)
  2. Stability of phase H in the MgSiO4H2-AlOOH-SiO2 system
    Wendy R. Panero and Razvan Caracas
    Earth and Planetary Science Letters, 463, 171-177 (2017)
  3. Salt partitioning between water and high-pressure ices. Implication for the dynamics and habitability of icy moons and water-rich planetary bodies
    Baptiste Journaux, Isabelle Daniel, Sylvain Petitgirard, Hervé Cardon, Jean-Philippe Perrillat, Razvan Caracas and Mohamed Mezouar
    Earth and Planetary Science Letters, 463, 36-47 (2017)
  4. High-pressure behavior of alpha-boron studied on single crystals by X-ray diffraction, Raman and IR spectroscopy
    Irina Chuvashova, Elena Bykova, Maxim Bykov, Volodymyr Svitlyk, Biliana Gasharova,
    Yves-Laurent Mathis, Razvan Caracas, Leonid Dubrovinsky, Natalia Dubrovinskaia

    Journal of Solid State Chemistry, 245, 50-60 (2017)
  5. The influence of carbon on the seismic properties of solid iron
    R. Caracas
    Geophysical Research Letters, doi: 10.1002/2016GL071109 (2016).
  6. Superionic-superionic phase transitions in body-centered cubic H2O ice
    Jean-Alexis Hernandez and Razvan Caracas
    Physical Review Letters, 117, 135503 (2016)
  7. High-pressure compressibility and vibrational properties of (Ca,Mn)CO3
    Jin Liu, Razvan Caracas, Dawei Fan, Ema Bobocioiu, Dongzhou Zhang, and Wendy L. Mao
    American Mineralogist, 101, 2723-2730, (2016), doi:10.2138/am-2016-5742
  8. Pressure-dependent isotopic composition of iron alloys
    A. Shahar, E.A. Schauble, R. Caracas, A.E. Gleason, M.M. Reagan, Y. Xiao, J. Shu, W. Mao
    Science, 352, 580-582 (2016)
  9. Sound velocities of bridgmanite from density of states determined by nuclear inelastic scattering and first principles calculations
    Catherine McCammon, Razvan Caracas, Konstantin Glazyrin, Vasily Potapkin, Anastasia Kantor, Ryosuke Sinmyo, Clemens Prescher, Ilya Kupenko, Aleksandr Chumakov, Leonid Dubrovinsky
    Progress in Earth and Planetary Science, 3, 10 (2016)
  10. Crystal structures of core materials
    R. Caracas
    in Geophysical Monograph Series, vol. 217, Deep Earth. Physics and Chemistry of the
    Lower Mantle and Core, Eds: Hidenori Terasaki, Rebecca A. Fischer
    Publisher: American Geophysical Union and John Wiley and Sons, Inc. (2016)
  11. Serpentines, talc, chlorites, and their high-pressure phase transitions: a Raman spectroscopic study
    B. Reynard, L. Bezacier, and R. Caracas
    Physics and Chemistry of Minerals, 42, 641–649, (2015).
  12. The influence of hydrogen on the seismic properties of solid iron
    R. Caracas
    Geophysical Research Letters, 42, 3780-3785 (2015).
  13. Ferroelectricity in high-density HO ice
    R. Caracas and R. J. Hemley
    Journal of Chemical Physics, 142, 134501 (2015).
  14. Theory and Practice – Lattice Vibrations and Spectroscopy of Mantle Phases
    Bruno Reynard, Razvan Caracas, Paul McMillan
    Treatise on Geophysics 2nd edition, Volume 2, Chapter 34, pp. 203-232 (2015).
  15. Elasticity and dislocations in ice X under pressure
    B. Journaux, R. Caracas, P. Carrez, K. Gouriet, P. Cordier, and I. Daniel
    Physics of the Earth and Planetary Interiors, 236, 10-15 (2014).
  16. Crystal structure refinement and elasticity of Na1.07Mg1.58Al4.91Si1.26O12 NAL phase
    Martha G. Pamato, Alexander Kurnosov, Tiziana Boffa Ballaran, Dmytro M. Trots, Razvan Caracas and Daniel J. Frost
    American Mineralogist, 99 (8-9), 1562-1569 (2014).
  17.  Stability and spectroscopy of Mg sulfate minerals. Role of hydration on sulfur isotope partitioning
    Ema Bobocioiu and Razvan Caracas
    American Mineralogist, 99 (7), 1216-1220 (2014).
  18.  Equations of state in the Fe-FeSi system at high pressures and temperatures
    Rebecca Fischer, Andrew Campbell , Razvan Caracas , Daniel Reaman , Dion L. Heinz , Przemyslaw Dera , Vitali Prakapenka
    Journal of Geophysical Research: solid Earth, 119 (4), 2810-2827 (2014).
  19.  Identifying the spin transition in Fe2+-rich MgSiO3 perovskite from X-ray diffraction and vibrational spectroscopy
    Razvan Caracas, Haruka Ozawa, Kei Hirose, Hirofumi Ishii, Nozomu Hiraoka, Yasuo Ohishi, and Naohisa Hirao
    American Mineralogist, 99 (7), 1270-1276 (2014).
  20.  Pressure-induced phase transitions in coesite
    Ana Černok, Tiziana Boffa Ballaran, Razvan Caracas, Nobuyochi Miyajima, Elena Bykova, Vitali Prakapenka, Hanns-Peter Liermann, and Leonid Dubrovinsky
    American Mineralogist, 99 (4), 755-763 (2014).
  21.  Elasticity and lattice dynamics of enstatite at high pressure
    Dongzhou Zhang, Jennifer M. Jackson, Bin Chen, Wolfgang Sturhahn, Jiyong Zhao, Jinyuan Yan, and Razvan Caracas
    Journal of Geophysical Research, 118, 4071-4082 (2013).
  22.  Raman spectroscopic properties and Raman identification of CaS-MgS-MnS-FeS-Cr2FeS4 sulfides in meteorites and reduced sulfur-rich systems
    Caroline Avril, Valérie Malavergne, Razvan Caracas, Brigitte Zanda, Bruno Reynard, Emeline Charon, Ema Bobocioiu, Fabrice Brunet, Stephan Borensztajn, Sylvain Pont, Martine Tarrida and François Guyot
    Meteoritics & Planetary Science, 48, 1415–1426 (2013).
  23.  The high conductivity of iron and thermal evolution of the Earth’s core
    H. Gomi, K. Ohta, K. Hirose, S. Labrosse, R. Caracas, M. J. Verstraete & J. W. Hernlund
    Physics of the Earth and Planetary Interiors, 224, 88-103 (2013).
  24.  Influence of NaCl on ice VI and ice VII melting curves up to 6 GPa, implications for large icy moons
    B. Journaux, I. Daniel, R. Caracas, G. Montagnac, and H. Cardon
    Icarus, 226, 355-363 (2013).
  25.  Anharmonicity of graphite at high temperature
    G. Montagnac, R. Caracas, E. Bobocioiu, F. Vittoz, and B.Reynard
    Carbon, 54, 68-75 (2013).
  26.  Raman spectroscopy investigation of alpha boron at elevated pressures and temperatures
    G. Parakhonskiy, V. Vtech, N. Dubrovinskaia, R. Caracas and L. Dubrovinsky
    Solid State Communications, 154, 34-39 (2013).
  27.  Equation of State and Phase Diagram of Fe-16Si Alloy as a Candidate Component of Earth’s Core
    R.A. Fischer, A.J. Campbell, R. Caracas, D.M. Reaman, P. Dera and V.B. Prakapenka
    Earth and Planetary Science Letters, 357-358, 268-276 (2012).
  28.  Creep of serpentine at the onset of plate tectonics
    Elodie Amiguet, Bruno Reynard, Razvan Caracas, Bertrand van de Moortele, Nadege Hilairet and Yanbin Wang
    Earth and Planetary Science Letters, 345-348, 142-150 (2012).
  29.  Bonding and structural changes in siderite at high pressure
    G. Farfan, S. Wang, H. Ma, R. Caracas and W. Mao
    American Mineralogist, 97, 1421-1426 (2012).
  30.  Effect of chemistry on compressibility of silicate perovskite in the lower mantle
    T. Boffa Ballaran, A. Kurnosov, K. Glazyrin, D.J. Frost, M. Melini, M. Hanfland and R. Caracas
    Earth and Planetary Science Letters, 333-334, 181-190 (2012).
  31.  The WURM project – a freely available web-based repository of computed physical data for minerals 
    R. Caracas and E. Bobocioiu
    American Mineralogist, 96, 437-444 (2011).
  32.  Diamond as a high pressure gauge up to 2.7 Mbar 
    Natalia Dubrovinskaia, Leonid Dubrovinsky, Razvan Caracas, and Michael Hanfland
    Applied Physics Letters 97, 251903 (2010).
  33.  Pressure-Induced Isostructural Phase Transformation in γ-B28
    E. Zarechnayaa, N. Dubrovinskaia, R. Caracas, M. Merlini, M. Hanfland, Y. Filinchuk, D. Chernyshov, V. Dmitriev, L. Dubrovinsky
    Physical Review B, 82, 184111 (2010).
  34.  Spin and structural transitions in AlFeO3 and FeAlO3 perovskite and post-perovskite 
    R. Caracas
    Physics of the Earth and Planetary Interiors, 182, 10-17 (2010).
  35.  Elasticity of AlFeO3 and FeAlO3 perovskite and post-perovskite from first-principles calculations 
    R. Caracas
    Geophysical Research Letters, 37, L20306, doi:10.1029/2010GL044404 (2010).
  36.  Is the spin transition in Fe2+-bearing perovskite visible in seismology? 
    R. Caracas, David Mainprice and Christine Thomas
    Geophysical Research Letters, 37, L13309, doi:10.1029/2010GL043320 (2010).
  37.  Elasticity of (K,Na)AlSi3O8 hollandite from lattice dynamics calculations
    R. Caracas and Tiziana Boffa Ballaran
    Physics of the Earth and Planetary Interiors, 181, 21-26 (2010).
  38.  Theoretical determination of the Raman spectra of single-crystal forsterite (Mg2SiO4
    D.A. McKeown, M.I. Bell and R. Caracas
    American Mineralogist, 95, 980-986 (2010).
  39.  High-pressure ferroelastic phase transition in aluminosilicate hollandite
    T. Boffa Ballaran, J. Liu, L.S. Dubrovinsky and R. Caracas
    Physical Review B, 80, 214104 (2009).
  40.  Advances in experimental and theoretical isotope geochemistry
    M. Roskosz, R. Caracas, and O. Rouxel
    Chemical Geology, 267, 109-110 (2009).
  41.  ABINIT: First-principles approach to material and nanosystem properties
    X. Gonz, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Cote, T. Deutsch, L. Genovesi, Ph. Ghosez, M. Giantomassi, S. Goedecker, D.R. Hamann, P. Hermet, F. Jollet, G. Jomard, S. Leroux, M. Mancini, S. Mazevet, M.J.T. Oliveira, G. Onida, Y. Pouillon, T. Rangel, G.-M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M.J. Verstraete, G. Zerah and J.W. Zwanziger
    Computer Physics Communications, 180, 2582-2615, (2009).
  42.  H/D isotopic fractionation of brucite Mg(OH)2 with water from vibrational spectroscopy and ab initio modeling
    Bruno Reynard and Razvan Caracas
    Chemical Geology, 262, 159-168 (2009).
  43.  Elasticity and Raman spectra of MgAl2O4 spinel from density functional perturbation theory
    R. Caracas and E.J. Banigan
    Physics of the Earth and Planetary Interiors, 174, 113-121 (2009).
  44.  Dynamical instabilities of ice X
    R. Caracas
    Physical Review Letters, 101, 085502 (2008).
  45.  X-ray Induced Synthesis of 8H Diamond
    Zhongwu Wang, Yusheng Zhao, Chang-sheng Zha, Qing Xue, Robert T. Downs, Ren-Guan Duan, Razvan Caracas, Xiaozhou Liao and Russell J. Hemley
    Advanced Materials, 20, 3303-3307 (2008).
  46.  Ferrous iron in post-perovskite from first-principles calculations 
    R. Caracas and R.E. Cohen
    Physics of the Earth and Planetary Interiors, 168, 147-152 (2008).
  47.  Synchrotron infrared spectroscopy of the pressure-induced insulator-metal transitions in glassy As2S3 and As2Se3 
    Viktor V. Struzhkin, Alexander F. Goncharov, Razvan Caracas, Ho-kwang Mao, and Russell J. Hemley
    Physical Review B, 77, 165133 (2008).
  48.  Post-perovskite phase in selected sesquioxides from density-functional calculations
    R. Caracas and R.E. Cohen
    Physical Review B, 76, 184101 (2007).
  49.  Effect of chemistry on the physical properties of perovskite and post-perovskite
    R. Caracas and R.E. Cohen
    In: Post-perovskite: The Last Mantle Phase Transition, Eds. Kei Hirose, John Brodholt, Thorne Lay, and David Yuen. AGU Press.
    Geophysical Monograph Series, 174, 115-128 (2007).
  50.  Raman spectra and lattice dynamics of cubic gauche nitrogen
    R. Caracas
    Journal of Chemical Physics, 127, 144510 (2007).
  51.  Prediction of polar ordered oxynitrides
    R. Caracas and R.E. Cohen
    Applied Physics Letters, 91, 092902 (2007).
  52.  New structures of dense nitrogen: pathways to the polymeric phase
    R. Caracas and R.J. Hemley
    Chemical Physics Letters, 442, 65-70 (2007).
  53.  First-principles study of high-T phases of K2SeO4
    R. Caracas and X. Gonze
    Physical Review B, 74, 195111 (2006).
  54.  Theoretical determination of the crystal structure of CaSiO3 perovskites
    R. Caracas and R. Wentzcovitch
    Acta Crystallographica B, 62, 1025-1030 (2006).
  55.  Theoretical determination of the Raman spectra of MgSiO3 perovskite and post-perovskite at high pressure
    R. Caracas and R.E. Cohen
    Geophysical Research Letters, 33, No. 12, L12S05, 10.1029/2006GL025736 (2006).
  56.  Phase stability of CaSiO3 perovskite at high pressure and temperature: Insights from ab initio molecular dynamics
    L. Li, D.J. Weidner, J. Brodholt, D. Alfe, G.D. Price, R. Caracas and R. Wentzcovitch
    Physics of the Earth and Planetary Interiors, 155, 260-268 (2006).
  57.  Elasticity of CaSiO3 perovskite at high pressure and high temperature
    L. Li, D.J. Weidner, J. Brodholt, D. Alfe, G.D. Price, R. Caracas and R. Wentzcovitch
    Physics of the Earth and Planetary Interiors, 155, 249-259 (2006).
  58.  Effect of chemistry on the stability and elasticity of the perovskite and post-perovskite phases in the MgSiO3-FeSiO3-Al2O3 system and implications for the lowermost mantle
    R. Caracas and R.E. Cohen
    Geophysical Research Letters, 32, No. 16, L16310, 10.1029/2005GL023164 (2005).
  59.  First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se
    R. Caracas and X. Gonze
    Physics and Chemistry of Minerals, 32, 295-300 (2005).
  60.  Iron-rich Silicates in the Earth’s D” Layer
    W.L. Mao, Y. Meng, G. Shen, V.B. Prakapenka, A.J. Campbell, D.L. Heinz, J. Shu, R. Caracas, R.E. Cohen, Y. Fei, R.J. Hemley and H.-k. Mao
    Proceeding of the National Academy of Science, 102, 9751-9753 (2005).
  61.  First-principle studies of the lattice dynamics of crystals, and related properties
    X. Gonze, G.-M. Rignanese and R. Caracas
    Zeitschrift fuer Kristallographie, 220, 458-472 (2005) (invited paper).
  62.  First-principle study of materials involved in incommensurate transitions
    R. Caracas and X. Gonze
    Zeitschrift fuer Kristallographie, 220, 511-520 (2005)(invited paper).
  63.  A brief introduction to the ABINIT software package.
    X. Gonze, G.-M. Rignanese, M. Verstraete, J.-M. Beuken, Y. Pouillon, R. Caracas, F. Jollet, M. Torrent, G. Zerah, M. Mikami, P. Ghosez, M. Veithen, V. Olevano, L. Reining, R. Godby, G. Onida, D. Hamann and D. C. Allan
    Zeitschrift fuer Kristallographie, 220, 558-562 (2005)(invited paper).
  64.  CaSiO3 at lower mantle pressures
    R. Caracas, R. Wentzcovitch, G.D. Price and J. Brodholt
    Geophysical Research Letters, 32, No. 6, L06306, 10.1029/2004GL022144 (2005).
  65.  Prediction of a new phase transition in Al2O3 at high pressures
    R. Caracas and R.E. Cohen
    Geophysical Research Letters, 32, No. 6, L06303, 10.1029/2004GL022204 (2005).
  66.  First-principles determination of the dynamical properties of Pb2MgTeO6 perovskites
    R. Caracas and X. Gonze
    Physical Review B, 71, 054101 (2005).
  67.  High-pressure isosymmetrical phase transition in calaverite
    R. Caracas and X. Gonze
    Physics and Chemistry of Minerals, 31, 553 (2004).
  68.  Equation of state and elasticity of FeSi
    R. Caracas and R. Wentzcovitch
    Geophysical Research Letters, 31, No. 20, 10.1029/2004GL020601 (2004).
  69.  First principles determination of the phase boundaries of high-pressure polymorphs of silica
    T. Tsuchiya, R. Caracas and J. Tsuchiya
    Geophysical Research Letters, 31, No. 11, 10.1029/2004GL019649 (2004).
  70.  Structural, electronic, and dynamical properties of AuTe2 under pressure
    R. Caracas and X. Gonze
    Physical Review B, 69, 144114 (2004).
  71.  Ab initio determination of the groundstate properties of Ca2MgSi2O7 akermanite
    R. Caracas and X. Gonze
    Physical Review B, 68, 184102 (2003).
  72. First-principles calculations of K2SeO4 dielectrics
    R. Caracas and X. Gonze
    American Institute of Physics, Conference Proceedings, Melville, New York, vol. 677, pp. 186-195, (2003).
  73.  First-principles study of Sn2P2Se6 ferroelectrics
    R. Caracas and X. Gonze
    Physical Review B, 66, 104106 (2002).
  74.  First-principles study of Pb2MgTeO6: high-T cubic phase and average low-T rhombohedral phase
    R. Caracas and X. Gonze
    Physical Review B, 65, 184103 (2002).
  75.  A database of incommensurate phases
    R. Caracas
    Journal of Applied Crystallography, 35, pp. 120-121 (2002).
  76.  First-principles computation of material properties : the ABINIT software project.
    X. Gonze, J.-M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G.-M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J.-Y. Raty, D.C. Allan
    Computational Materials Science, 25, 478-492 (2002).
  77. Ab initio lattice dynamics of Pb2MgTeO6 double perovskite
    R. Caracas and X. Gonze
    American Institute of Physics, Conference Proceedings, Melville, New York, (2002), vol. 626, pp. 303-309.
  78.  Ab initio determination of the valence electron distribution in the average structure of the incommensurately modulated AuTe2, Calaverite
    R. Caracas and X. Gonze
    Acta Crystallographica B57, 633-637 (2001).
  79.  Ab initio study of incommensurately modulated crystals
    R. Caracas and X. Gonze
    Computational Materials Science 22, 112-117 (2001).
  80. First-principles study of Pb2MgTeO6 perovskite
    R. Caracas and X. Gonze
    American Institute of Physics, Conference Proceedings, Melville, New York, vol. 582, pp.128-136, (2001).
  81.  First-principles study of crystals exhibiting an incommensurate phase transition.
    X. Gonze, R. Caracas, P. Sonnet, F. Detraux, Ph. Ghosez, I. Noiret, and J. Schamps
    American Institute of Physics, Conference Proceedings, Melville, New York, vol. 535, pp.13-20, (2000).

Patents

  1. Ordered Oxynitride Perovskites
    Korea Patent 10-1489849 (2015).
    Inventors: Ronald E. Cohen and Razvan Caracas
  2. Ordered Oxynitride Perovskites
    US Patent 20,130,071,312 (2013)
    Inventors: Ronald E. Cohen and Razvan Caracas
  3. Ordered Oxynitride Perovskites
    US Patent 8,287,831(2012);
    Inventors: Ronald E. Cohen and Razvan Caracas

Book chapters

  1.  Theoretical modeling of Raman spectra
    R. Caracas and E. Bobocioiu
    in EMU Notes in Mineralogy, Ed. J. Dubessy
    Publisher: EMU (2012)
  2.  First-principles calculations of physical properties of planetary ices
    Razvan Caracas
    in The Science of Solar System Ices; Eds: Murthy S. Gudipati & Julie C. Castillo-Rogez.
    Publisher: Springer USA (2012)
  3.  Dinamica de la red desde primeros principios y obtencion de sus propiedades termodinamicas
    A. H. Romero, W. Ibarraand R. Caracas
    in Aplicaciones de la espectroscopia Raman en la caracterizacion de materiales
    Edited by S. J. Sandoval, L. E. Alarcon, and M. A. C. Lopez
    SMCTSM, Mexico (2011)
  4.  Lattice Dynamics and Thermodynamical Properties
    Razvan Caracas and Xavier Gonze
    in Thermodynamic Properties of Solids: Experiment and Modeling
    Edited by S. L. Chaplot, R. Mittal, and N. Choudhury
    WILEY-VCH Verlag, Weinheim (2010)
  5.  Fractal dimension measurements of some manganese dendrites
    E. Constantinescu, S. Milutinovici, R. Caracas, and M. Palasanu
    in Mineralogy in the system of Earth sciences – ed. E. Constantinescu, World Scientific, (2000).

Miscellaneous papers

  • Benchmark studies of PWSCF package on IBM sp/Regatta
    R. Caracas and S.R. Behling
    Internal Report UMN/CEMS-MSI
    Minneapolis, MN, April (2004)
  • Solid – a tool for automatic testing of pseudopotentials in ABINIT
    R. Caracas
    Internal Report UCL/ABINIT group
    Louvain-la-Neuve, Belgium, January (2001)
  • The geometry of NbO6 octahedra in Nb-bearing oxides
    R. Caracas
    Bull. Czech and Slovak Crystall. Assoc., 5, special issue B, p. 369-370 (1998).
  • Structural morphology of rutile and related phases
    R. Caracas
    Rom.J.Mineral., 78, Suppl. 1, p.7-8 (1997).
  • Fractal analysis of the analcime-glass blebs from alkali-basic lavas in tethysian ophiolites, South Apuseni Mountains
    R. Caracas, C. Ciobanu, E. Bobocioiu
    Rom.J.Mineral. , 78, Suppl. 1, p.8-9 (1997).
  • Madelung: a program for calculating electrostatic potentials and Madelung energies for crystals
    R. Caracas
    Ann. Univ. Bucarest, Geology, pp. 11-14, (1997).
  • Stibnite morphology. A structural approach
    R. Caracas
    Ann. Univ. Bucarest, Geology, pp. 27-34, (1996).
  • Measuring fractal dimension – iron and manganese hydroxides dendrites
    E. Constantinescu, M. Palaseanu, S. Milutinovici and R. Caracas
    Rom.J.Mineral., 77, Suppl. 1, p.13 (1995).
  • Measuring fractal dimension – sphalerite exsolution in chalcopyrite from the Toroiaga Area
    M. Palaseanu, S. Milutinovici and R. Caracas
    Rom.J.Mineral., 77, Suppl. 1, p.36 (1995).
  • B.Sc Graduation thesis
    Structural morphology of crystals. Application to oxide minerals
    Supervisor: Prof. Emil Constantinescu
    Bucarest, 1997

 

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