Publications

Razvan Caracas on Google Scholar

Peer-reviewed

  1. Equation of state, structure, and transport properties of iron hydride melts at planetary interior conditions
    Emma R. Stoutenbourg, Razvan Caracas, Natalia V. Solomatova, Andrew J. Campbell
    Journal of Geophysical Research: Planets, in press (2024).
  2. Degassing of CO2 triggers large-scale loss of helium from magma oceans
    Anne H. Davis, Razvan Caracas
    Communications Earth and Environment, 5, 344 (2024)
  3. The thermal equation of state of the magma ocean
    Razvan Caracas
    Earth and Science Planetary Letters, 637, 118724 (2024)
  4. Diffusion, chemical bonding, and kinetic fractionation of noble gases in the primordial magma ocean
    Adrien Saurety, Ozge Ozgurel, Chris Mohn, Razvan Caracas
    Geochimica et Cosmochimica Acta, 378, 144-152 (2024)
  5. Noble gas migration in silica polymorphs at Earth’s mantle conditions
    Sarah Figowy, Chris Erik Mohn, Razvan Caracas
    Earth and Science Planetary Letters, 633, 118637 (2024)
  6. Carbon storage in Earth’s deep interior implied by carbonate-silicate-iron melt miscibility
    A. H. Davis, N. V. Solomatova, R. Caracas, A. J. Campbell
    Geochemistry, Geophysics, Geosystems, 24 (8), e2023GC010896  (2023)
  7. The effect of a small amount of hydrogen in the atmosphere of ultrahot magma-ocean planets: Atmospheric composition and escape
    S. Charnoz, A. Falco, P. Tremblin, P. Sossi, R. Caracas, P.O. Lagage
    Astronomy & Astrophysics, 674, A224  (2023)
  8. S2- and S3- radicals and the S4- polysulfide ion in lazurite, haüyne, and synthetic ultramarine blue revealed by resonance Raman spectroscopy
    Stefan Farsang, R. Caracas, Tauji B. M. Adachi, Cedric Schnyder, Zoltan Zajacz
    American Mineralogist, 108, 2234-2243 (2023)
  9. The magma ocean was a huge helium reservoir in the early Earth
    Ozge Ozgurel, Razvan Caracas
    Geochemical Perspective Letters, 25, 46-590  (2023)
  10. Predicting HP-HT Earth and Planetary Materials
    Razvan Caracas, Chris Mohn, Zhi Li
    in Celebrating the International Year of Mineralogy: Progress and Landmark Discoveries of the Last Decades, Eds. Luca Bindi, Giuseppe Grucciani, Springer Mineralogy Book series  (2023)
  11. No magma ocean surface after giant impacts between rocky planets 
    Razvan Caracas, Sarah T. Stewart
    Earth and Planetary Science Letters, 608, 118014 (2023)
  12. Earth’s volatile depletion trend is consistent with a high-energy Moon-forming impact
    Natalia V. Solomatova, Razvan Caracas
    Communications Earth & Environment, 4, 38 (2023)
  13. Jadeite and related species in shocked meteorites: Limitations on inference of shock conditions
    Ioannis Baziotis, Stamatios Xydous, Angeliki Papoutsa, Jinping Hu, Chi Ma, Stephan Klemme, Jasper Berndt, Ludovic Ferrière, Razvan Caracas, Paul D Asimow
    American Mineralogist, 107 (10), 1868-1877 (2022)
  14. Stability of high-temperature salty ice suggests electrolyte permeability in water-rich exoplanet icy mantles
    Jean-Alexis Hernandez, Razvan Caracas, and Stephane Labrosse
    Nature Communications 13, 3303. doi: 10.1038/s41467-022-30796-5 (2022)
  15. Ab initio study of the structure and relative stability of MgSiO4H2 polymorphs at high pressures and temperatures
    Natalia V. Solomatova, Razvan Caracas, Luca Bindi, and Paul D. Asimow
    American Mineralogist 107, 781-789. doi: 10.2138/am-2021-7937 (2022)
  16. Critical point and supercritical regime of MgO
    Tim F. J. Bögels and Razvan Caracas
    Physical Review B, 105(6), 064105 (2022)
  17. The Speciation and Coordination of a Deep Earth Carbonate-Silicate-Metal Melt
    A. H. Davis, N. V. Solomatova, A. J. Campbell, and R. Caracas
    Journal of Geophysical Research: Solid Earth, 127, e2021JB023314 (2022).
  18. Genesis of a CO2-rich and H2O-depleted atmosphere from Earth’s early global magma ocean
    Natalia V. Solomatova and Razvan Caracas
    Science Advances, 7 (41),  doi: 10.1126/sciadv.abj0406 (2021)
  19. Thermophysical properties of hot fluid iron in the protolunar disk
    Zhi Li and Razvan Caracas
    Physics of the Earth and Planetary Interiors, (2021)
  20. Analyzing melts and fluids from ab initio molecular dynamics simulations with the UMD package
    Razvan Caracas, Anais Kobsch, Natalia V. Solomatova, Zhi Li, Francois Soubiran, and Jean-Alexis Hernandez
    Journal of Visualized Experiments, 175, e61534, doi: 10.3791/61534 (2021)
  21. Earth cousins” are new targets for planetary materials research
    Edwin Kite, Laura Kreidberg, Laura Schaefer, Razvan Caracas, and Marc Hirschmann
    EOS, 102, doi: 10.1029/2021EO159473 (2021)
  22. Ab initio Gibbs ensemble Monte Carlo simulations of the liquid-vapor equilibrium and the critical point of sodium
    Zhi Li, Christophe Winisdoerffer, François Soubiran, and Razvan Caracas
    Physical Chemistry Chemical Physics, 23, 311-319 (2021)
  23. Buoyancy and structure of volatile-rich silicate melts
    Natalia V. Solomatova and Razvan Caracas
    Journal of Geophysical Research: Solid Earth, e2020JB021045, (2020)
  24. The critical point and the supercritical state of alkali feldspars: implications for the behavior of the crust during impacts
    Anais Kobsch, Razvan Caracas
    Journal of Geophysical Research: Planets, 125, e2020JE006412 (2020).
  25. Partial core vaporization during Giant Impacts inferred from the entropy and the critical point of iron
    Zhi Li, Razvan Caracas, François Soubiran
    Earth and Planetary Science Letters, 547, 116463 (2020).
  26. Stability and Solid Solutions of Hydrous Alumino-Silicates in the Earth’s Mantle
    Wendy R. Panero, Razvan Caracas
    Minerals, 10, 4, 330, (2020). doi: 10.3390/min10040330
  27. Carbon speciation and solubility in silicate melts
    Natalia V. Solomatova, Razvan Caracas, Ronald E. Cohen
    in Carbon in Earth’s Interior, Eds: Craig E. Manning, Jung-Fu Lin, Wendy L. Mao
    Geophysical Monograph Series, American Geophysical Union, 2020.
    doi: 10.1002/9781119508229.ch16
  28. The Shock Physics of Giant Impacts: Key Requirements for the Equations of State
    Sarah T. Stewart, Erik J. Davies, Megan S. Duncan, Simon J. Lock, Seth Root, Joshua P. Townsend, Richard G. Kraus, Razvan Caracas, Stein B. Jacobsen
    AIP Conference Proceedings, 2272, 1, 080003 (2020)
  29. Pressure‐induced coordination changes in a pyrolitic silicate melt from ab initio molecular dynamics simulations
    Natalia V. Solomatova, Razvan Caracas
    Journal of Geophysical Research: Solid Earth, 124 (2019), doi: 10.1029/2019JB018238
  30. Melt-crystal density crossover in a deep magma ocean
    Razvan Caracas, Kei Hirose, Ryuichi Nomura, Maxim D. Ballmer
    Earth and Planetary Science Letters, 516, 202-211 (2019)
  31. Carbon sequestration during core formation implied by complex carbon polymerization
    Natalia V. Solomatova, Razvan Caracas, and Craig E. Manning
    Nature Communications, 10, 789  (2019)
  32. Projector Augmented-Wave formulation of response to strain and electric field perturbation within the density-functional perturbation theory
    A. Martin, M. Torrent, and R. Caracas
    Physical Review B, 99, 094112 (2019)
  33. High-pressure yield strength of rocksalt structures using quartz Raman piezometry
    Bruno Reynard, R. Caracas, Herve Cardon, Gilles Montagnac, Sebastien Merkel
    Comptes Rendus Geoscience, 351, 71-79, doi: 10.1016/j.crte.2018.02.001 (2019)
  34. Anharmonic contribution to the stabilization of Mg(OH)2 from first principles
    P. Trevino A. C. Garcia-Castro, S. López-Moreno, A. Bautista-Hernández, E. Bobocioiu, B. Reynard, R. Caracas, and A. H. Romero
    Physical Chemistry Chemical Physics, 20, 17799-17808  (2018)
  35. Proton dynamics and the phase diagram of dense water ice
    Jean-Alexis Hernandez, R. Caracas
    Journal of Physical Chemistry, 148, 214501 (2018)
  36. Reconciling Magma-Ocean Crystallization Models with the Present-day Structure of the Earth’s mantle
    M. D. Ballmer, D. Lourenço, K. Hirose, R. Caracas, and R. Nomura
    Geochemistry, Geophysics, Geosystems, 18, doi:10.1002/2017GC006917 (2017)
  37. Compressional pathways of α-cristobalite, structure of cristobalite X-I, and towards the understanding of seifertite formation
    Ana Černok, Katharina Marquardt, Razvan Caracas, Elena Bykova, Gerlinde Habler, Hanns-Peter Liermann, Michael Hanfland, Mohamed Mezouar, Ema Bobocioiu & Leonid Dubrovinsky
    Nature Communications, 8, 15647 (2017)
  38. Hydrogen mobility in transition zone silicates
    Razvan Caracas and Wendy R. Panero
    Progress in Earth and Planetary Sciences, 4, 9 (2017)
  39. 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)
  40. 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)
  41. 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)
  42. The influence of carbon on the seismic properties of solid iron
    R. Caracas
    Geophysical Research Letters, 44, 128-134, doi: 10.1002/2016GL071109 (2016).
  43. Superionic-superionic phase transitions in body-centered cubic H2O ice
    Jean-Alexis Hernandez and Razvan Caracas
    Physical Review Letters, 117, 135503 (2016)
  44. 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
  45. 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)
  46. 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)
  47. 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)
  48. 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).
  49. The influence of hydrogen on the seismic properties of solid iron
    R. Caracas
    Geophysical Research Letters, 42, 3780-3785 (2015).
  50. Ferroelectricity in high-density HO ice
    R. Caracas and R. J. Hemley
    Journal of Chemical Physics, 142, 134501 (2015).
  51. 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).
  52. 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).
  53. 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).
  54.  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).
  55.  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).
  56.  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).
  57.  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).
  58.  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).
  59.  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).
  60.  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).
  61.  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).
  62.  Anharmonicity of graphite at high temperature
    G. Montagnac, R. Caracas, E. Bobocioiu, F. Vittoz, and B.Reynard
    Carbon, 54, 68-75 (2013).
  63.  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).
  64.  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).
  65.  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).
  66.  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).
  67.  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).
  68. 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)
  69. Theoretical modeling of Raman spectra
    R. Caracas and E. Bobocioiu
    in EMU Notes in Mineralogy, Ed. J. Dubessy
    Publisher: EMU (2012)
  70.  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).
  71. 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)
  72.  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).
  73.  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).
  74.  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).
  75.  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).
  76.  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).
  77.  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).
  78.  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).
  79. 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)
  80.  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).
  81.  Advances in experimental and theoretical isotope geochemistry
    M. Roskosz, R. Caracas, and O. Rouxel
    Chemical Geology, 267, 109-110 (2009).
  82.  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).
  83.  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).
  84.  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).
  85.  Dynamical instabilities of ice X
    R. Caracas
    Physical Review Letters, 101, 085502 (2008).
  86.  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).
  87.  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).
  88.  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).
  89.  Post-perovskite phase in selected sesquioxides from density-functional calculations
    R. Caracas and R.E. Cohen
    Physical Review B, 76, 184101 (2007).
  90.  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).
  91.  Raman spectra and lattice dynamics of cubic gauche nitrogen
    R. Caracas
    Journal of Chemical Physics, 127, 144510 (2007).
  92.  Prediction of polar ordered oxynitrides
    R. Caracas and R.E. Cohen
    Applied Physics Letters, 91, 092902 (2007).
  93.  New structures of dense nitrogen: pathways to the polymeric phase
    R. Caracas and R.J. Hemley
    Chemical Physics Letters, 442, 65-70 (2007).
  94.  First-principles study of high-T phases of K2SeO4
    R. Caracas and X. Gonze
    Physical Review B, 74, 195111 (2006).
  95.  Theoretical determination of the crystal structure of CaSiO3 perovskites
    R. Caracas and R. Wentzcovitch
    Acta Crystallographica B, 62, 1025-1030 (2006).
  96.  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).
  97.  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).
  98.  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).
  99.  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).
  100.  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).
  101.  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).
  102.  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).
  103.  First-principle study of materials involved in incommensurate transitions
    R. Caracas and X. Gonze
    Zeitschrift fuer Kristallographie, 220, 511-520 (2005)(invited paper).
  104.  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).
  105.  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).
  106.  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).
  107.  First-principles determination of the dynamical properties of Pb2MgTeO6 perovskites
    R. Caracas and X. Gonze
    Physical Review B, 71, 054101 (2005).
  108.  High-pressure isosymmetrical phase transition in calaverite
    R. Caracas and X. Gonze
    Physics and Chemistry of Minerals, 31, 553 (2004).
  109.  Equation of state and elasticity of FeSi
    R. Caracas and R. Wentzcovitch
    Geophysical Research Letters, 31, No. 20, 10.1029/2004GL020601 (2004).
  110.  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).
  111.  Structural, electronic, and dynamical properties of AuTe2 under pressure
    R. Caracas and X. Gonze
    Physical Review B, 69, 144114 (2004).
  112.  Ab initio determination of the groundstate properties of Ca2MgSi2O7 akermanite
    R. Caracas and X. Gonze
    Physical Review B, 68, 184102 (2003).
  113. 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).
  114.  First-principles study of Sn2P2Se6 ferroelectrics
    R. Caracas and X. Gonze
    Physical Review B, 66, 104106 (2002).
  115.  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).
  116.  A database of incommensurate phases
    R. Caracas
    Journal of Applied Crystallography, 35, pp. 120-121 (2002).
  117.  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).
  118. 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.
  119.  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).
  120.  Ab initio study of incommensurately modulated crystals
    R. Caracas and X. Gonze
    Computational Materials Science 22, 112-117 (2001).
  121. 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).
  122. 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).
  123.  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

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
Copyright Razvan Caracas' Lab 2024
Tech Nerd theme designed by Siteturner