Publications

Razvan Caracas on Google Scholar

Peer-reviewed

    1. 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, in press  (2023)
    2. The magma ocean was a huge helium reservoir in the early Earth
      Ozge Ozgurel, Razvan Caracas
      Geochemical Perspective Letters, 25, 46-590  (2023)
    3. 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)
    4. No magma ocean surface after giant impacts between rocky planets 
      Razvan Caracas, Sarah T. Stewart
      Earth and Planetary Science Letters, 608, 118014 (2023)
    5. 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)
    6. 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)
    7. 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)
    8. 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)
    9. Critical point and supercritical regime of MgO
      Tim F. J. Bögels and Razvan Caracas
      Physical Review B, 105(6), 064105 (2022)
    10. 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).
    11. 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)
    12. Thermophysical properties of hot fluid iron in the protolunar disk
      Zhi Li and Razvan Caracas
      Physics of the Earth and Planetary Interiors, (2021)
    13. 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)
    14. 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)
    15. 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)
    16. Buoyancy and structure of volatile-rich silicate melts
      Natalia V. Solomatova and Razvan Caracas
      Journal of Geophysical Research: Solid Earth, e2020JB021045, (2020)
    17. 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).
    18. 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).
    19. 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
    20. 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
    21. 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)
    22. 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
    23. 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)
    24. Carbon sequestration during core formation implied by complex carbon polymerization
      Natalia V. Solomatova, Razvan Caracas, and Craig E. Manning
      Nature Communications, 10, 789  (2019)
    25. 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)
    26. 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)
    27. 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)
    28. Proton dynamics and the phase diagram of dense water ice
      Jean-Alexis Hernandez, R. Caracas
      Journal of Physical Chemistry, 148, 214501 (2018)
    29. 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)
    30. 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)
    31. Hydrogen mobility in transition zone silicates
      Razvan Caracas and Wendy R. Panero
      Progress in Earth and Planetary Sciences, 4, 9 (2017)
    32. 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)
    33. 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)
    34. 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)
    35. The influence of carbon on the seismic properties of solid iron
      R. Caracas
      Geophysical Research Letters, 44, 128-134, doi: 10.1002/2016GL071109 (2016).
    36. Superionic-superionic phase transitions in body-centered cubic H2O ice
      Jean-Alexis Hernandez and Razvan Caracas
      Physical Review Letters, 117, 135503 (2016)
    37. 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
    38. 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)
    39. 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)
    40. 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)
    41. 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).
    42. The influence of hydrogen on the seismic properties of solid iron
      R. Caracas
      Geophysical Research Letters, 42, 3780-3785 (2015).
    43. Ferroelectricity in high-density HO ice
      R. Caracas and R. J. Hemley
      Journal of Chemical Physics, 142, 134501 (2015).
    44. 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).
    45. 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).
    46. 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).
    47.  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).
    48.  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).
    49.  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).
    50.  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).
    51.  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).
    52.  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).
    53.  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).
    54.  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).
    55.  Anharmonicity of graphite at high temperature
      G. Montagnac, R. Caracas, E. Bobocioiu, F. Vittoz, and B.Reynard
      Carbon, 54, 68-75 (2013).
    56.  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).
    57.  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).
    58.  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).
    59.  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).
    60.  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).
    61. 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)
    62. Theoretical modeling of Raman spectra
      R. Caracas and E. Bobocioiu
      in EMU Notes in Mineralogy, Ed. J. Dubessy
      Publisher: EMU (2012)
    63.  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).
    64. 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)
    65.  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).
    66.  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).
    67.  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).
    68.  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).
    69.  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).
    70.  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).
    71.  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).
    72. 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)
    73.  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).
    74.  Advances in experimental and theoretical isotope geochemistry
      M. Roskosz, R. Caracas, and O. Rouxel
      Chemical Geology, 267, 109-110 (2009).
    75.  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).
    76.  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).
    77.  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).
    78.  Dynamical instabilities of ice X
      R. Caracas
      Physical Review Letters, 101, 085502 (2008).
    79.  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).
    80.  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).
    81.  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).
    82.  Post-perovskite phase in selected sesquioxides from density-functional calculations
      R. Caracas and R.E. Cohen
      Physical Review B, 76, 184101 (2007).
    83.  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).
    84.  Raman spectra and lattice dynamics of cubic gauche nitrogen
      R. Caracas
      Journal of Chemical Physics, 127, 144510 (2007).
    85.  Prediction of polar ordered oxynitrides
      R. Caracas and R.E. Cohen
      Applied Physics Letters, 91, 092902 (2007).
    86.  New structures of dense nitrogen: pathways to the polymeric phase
      R. Caracas and R.J. Hemley
      Chemical Physics Letters, 442, 65-70 (2007).
    87.  First-principles study of high-T phases of K2SeO4
      R. Caracas and X. Gonze
      Physical Review B, 74, 195111 (2006).
    88.  Theoretical determination of the crystal structure of CaSiO3 perovskites
      R. Caracas and R. Wentzcovitch
      Acta Crystallographica B, 62, 1025-1030 (2006).
    89.  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).
    90.  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).
    91.  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).
    92.  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).
    93.  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).
    94.  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).
    95.  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).
    96.  First-principle study of materials involved in incommensurate transitions
      R. Caracas and X. Gonze
      Zeitschrift fuer Kristallographie, 220, 511-520 (2005)(invited paper).
    97.  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).
    98.  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).
    99.  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).
    100.  First-principles determination of the dynamical properties of Pb2MgTeO6 perovskites
      R. Caracas and X. Gonze
      Physical Review B, 71, 054101 (2005).
    101.  High-pressure isosymmetrical phase transition in calaverite
      R. Caracas and X. Gonze
      Physics and Chemistry of Minerals, 31, 553 (2004).
    102.  Equation of state and elasticity of FeSi
      R. Caracas and R. Wentzcovitch
      Geophysical Research Letters, 31, No. 20, 10.1029/2004GL020601 (2004).
    103.  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).
    104.  Structural, electronic, and dynamical properties of AuTe2 under pressure
      R. Caracas and X. Gonze
      Physical Review B, 69, 144114 (2004).
    105.  Ab initio determination of the groundstate properties of Ca2MgSi2O7 akermanite
      R. Caracas and X. Gonze
      Physical Review B, 68, 184102 (2003).
    106. 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).
    107.  First-principles study of Sn2P2Se6 ferroelectrics
      R. Caracas and X. Gonze
      Physical Review B, 66, 104106 (2002).
    108.  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).
    109.  A database of incommensurate phases
      R. Caracas
      Journal of Applied Crystallography, 35, pp. 120-121 (2002).
    110.  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).
    111. 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.
    112.  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).
    113.  Ab initio study of incommensurately modulated crystals
      R. Caracas and X. Gonze
      Computational Materials Science 22, 112-117 (2001).
    114. 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).
    115. 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).
    116.  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
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