**Citations Statistics - Google Scholar**

http://scholar.google.com/citations?user=SQ0QPmkAAAAJ

**2019**

85. *(submitted)** *

S. Kong, N. Kumar, S. Checchia, C. Cazorla, and J. Daniels *"Defect-driven structural distortions at the surface of relaxor ferroelectrics"*

84. *(submitted)** *

Q. Lai, Y. Sun, P. Modi, C. Cazorla, U. B. Demirci, J. R. Ares, F. Leardini, and K. F. Aguey-Zinsou *"How to design hydrogen storage materials? Fundamentals, synthesis, and storage tanks"*

83. *(submitted)** *

M. A. Sattar, S. A. Ahmad, F. Hussain, and C. Cazorla *"First-principles prediction of magnetically ordered half-metals above room temperature"*

82. *(submitted)** *

S. S. Mofarah, E. Adabifiroozjaei, R. Webster, P. Koshy, R. K. Nekouei, S. Lim, Y. Yao, C. Cazorla, Z. Liu, N. Lambropoulos, and C. C. Sorrell *"Proton-assisted creation of controlable volumetric oxygen vacancy in ultrathin ceria for pseudocapacitive energy storage applications"*

81. *(submitted)** *

A. K. Sagotra, D. Chu, and C. Cazorla *"Influence of lattice dynamics on lithium-ion conductivity: A first-principles study"*

80. Journal of Physics: Condensed Matter 31, 075401* *

H. Mohanty, T. Dam, H. Borkar, D. Pradhan, K. Mishra, A. Kumar, B. Sahoo, Kulriya, P., C. Cazorla, J. Scott, and D. Pradhan *"Structural transformations and physical properties of (1-x)NBT-(x)BTO solid solutions near morphotropic phase boundary"*

79. Advanced Theory and Simulations 2, 1800146* *

J. N. Shenoy, J. N. Hart, R. Grau-Crespo, N. L. Allan, and C. Cazorla *"Mixing thermodynamics and photocatalytic properties of GaP-ZnS solid solutions"*

78. Science Advances 5, eaau5832* *

C. Cazorla and T. Gould *"Polymorphism of bulk boron nitride"*

**2018**

77. Physical Review B 98, 174105* *

C. Cazorla and J. Iniguez *"Giant direct and inverse electrocaloric effects in multiferroic thin films"*

76. Nature Communications 9, 3337* *

A. K. Sagotra, D. Chu, and C. Cazorla *"Room-temperature mechanocaloric effects in lithium-based superionic materials"*

T. Wan, B. Qu, H. Du, X. Lin, Q. Lin, D. Wang, C. Cazorla, S. Li, and D. Chu

*"Digital to analog resistive switching transition induced by graphene buffer layer in SrTiO3 based devices"*

74. Journal of Physical Chemistry C 122, 1267* *

C. Cazorla, A. K. Sagotra, M. King, and D. Errandonea *"High-pressure phase diagram and superionicity of alkaline-earth metal difluorides"*

73. Materials & Design 155, 71* *

Z. Xu, A. Younis, C. Cazorla, J. Yi, D. Chu, and S. Li *"Engineering cationic defects in transparent tin oxide superlattices"*

72. Crystals 8, 64* *

S. Sempere, A. Serra, J. Boronat, and C. Cazorla *"Dislocation structure and mobility in hcp rare-gas solids: quantum versus classical"*

71. Physical Review B 98, 186101* *

C. Cazorla and D. Errandonea *"Comment on High-pressure phases of group-II difluorides: Polymorphism and superionicity"*

70. ACS Applied Materials & Interfaces 10, 22348* *

S. Hu, C. Cazorla, F. Xiang, H. Ma, J. Wang, X. Wang, C. Ulrich, L. Chen, and J. Seidel *"Strain control of giant magnetic anisotropy in metallic perovskite SrCoO3 thin films"*

69. Physical Review B 97, 174102* *

S. Rahman, H. Saqib, J. Zhang, D. Errandonea, C. Menendez, C. Cazorla, X. Li, J. Lu, and L. Wang *"Pressure-induced structural and semiconductor-semiconductor transitions in Co0.5Mg0.5Cr2O4"*

**2017**

68. Nature Communications 8, 1851* *

A. Aznar, P. Lloveras, M. Romanini, M. Barrio, J. Ll. Tamarit, C. Cazorla, D. Errandonea, N. D. Mathur, A. Planes, X. Moya, and Ll. Manosa *"Giant barocaloric effects over a wide temperature range in superionic conductor AgI"*

67. ACS Applied Materials & Interfaces 9, 38773* *

A. Sagotra and C. Cazorla *"Stress-mediated enhancement of ionic conductivity in fast-ion conductors"*

66. Advanced Sustainable Systems 1, 1700122* *

Q. Lai, Z. Quadir, C. Cazorla, U. B. Demirci, and K.-F. Aguey-Zinsou *"Nanosizing ammonia borane with nickel: A path toward the direct hydrogen release and uptake of B-N-H systems"*

65. Advanced Electronic Materials 4, 1700242

B. Wolba, J. Seidel, C. Cazorla, C. Godau, A. Haubmann, and L. M. Eng * *

*"Resistor network modeling of conductive domain walls in lithium niobate"*

64. Nature Communications 8, 963* *

A. Sagotra, D. Errandonea, and C. Cazorla * *

*"Mechanocaloric effects in superionic thin films from atomistic simulations"*

63. Physical Review Applied 7, 044025

C. Cazorla * *

*"Lattice effects on the formation of oxygen vacancies in perovskite thin films"*

62. Science Advances 3, e1700288

C. Cazorla, O. Dieguez, and J. Iniguez * *

*"Multiple structural transitions driven by spin-phonon couplings in a perovskite oxide"*

61. ACS Nano 11, 2805 * *

Y. Heo, S. Hu, P. Sharma, K.-E. Kim, B.-K. Jang, C. Cazorla, C.-H. Yang, and J. Seidel * *

*"Impact of isovalent and aliovalent doping on mechanical properties of mixed phase BiFeO*

_{3}"60. Reviews of Modern Physics 89, 035003* *C. Cazorla and J. Boronat

*"Simulation and understanding of atomic and molecular quantum crystals"*

59. Chemistry of Materials 29, 708* *

S. Hu, Y. Wang, C. Cazorla, and J. Seidel * *

*"Strain-enhanced oxygen dynamics and redox reversibility in topotactic SrCoO*

_{3-δ}(0<δ≤0.5)"

**2016**

58. Physical Chemistry Chemical Physics 18, 30686

P. Rivero and C. Cazorla * *

*"Revisiting the zero-temperature phase diagram of stoichiometric SrCoO*

_{3}with first-principles methods"57. Results in Physics 6, 534* *C. Cazorla

*"Electrostatic tuning of oxygen octahedral rotations in ferroelectric perovskites"*

56. Journal of Physics: Condensed Matter 28, 445401C. Cazorla, S. G. MacLeod, D. Errandonea, K. A. Munro, M. I. McMahon, and C. Popescu

*"Thallium under extreme compression"*

55. Scientific Reports 6, 28742M.
Acosta, L. A. Schmitt, C. Cazorla, A. Studer, A. Zintler, J. Glaum, H.
J. Kleebe, W. Donner, M. Hoffman, J. Rodel, and M. Hinterstein

*"Piezoelectricity and rotostriction through polar and non-polar coupled instabilities in bismuth-based piezoceramics"*

54. Nano Letters 16, 3124 C. Cazorla and D. Errandonea

*"Giant mechanocaloric effects in fluorite-structured superionic materials"*

*Supplemental Information

**2015**

53. Physical Review B 92, 224113C. Cazorla and J. Boronat

*"First-principles modeling of three-body interactions in highly compressed solid helium"*

52. Physical Review B 92, 214108C. Cazorla and M. Stengel

*"Electrostatic engineering of strained ferrorelectric perovskites from first-principles"*

*C. Cazorla*

*"In the search of new electrocaloric materials: Fast ion conductors"*

50.

*Coordination Chemistry Reviews 300, 142-163*

*C. Cazorla*

*"The role of density functional theory methods in the prediction of nanostructured gas-adsorbent materials"*

49. Physical Review B 91, 024103

C. Cazorla and J. Boronat*"First-principles modeling of quantum nuclear effects and atomic interactions in solid 4He at high pressure"*

**2014**

48. Physical Review B 90, 214512

Y. Lutsyshyn, G. E. Astrakharchik, C. Cazorla, and J. Boronat*"Quantum phase transition with a simple variational ansatz" *

47. Physical Review Letters 113, 235902

C. Cazorla and D. Errandonea*"Superionicity and polymorphism in calcium fluoride at high pressure"*

*Supplemental Material

46. Journal of Low Temperature Physics 180, 20-28

C. Cazorla and J. Boronat*"The limit of mechanical instability in quantum crystals: A diffusion Monte Carlo study of solid 4He"*

45. Physical Review B 90, 020101(R)*C. Cazorla and M. Stengel**"Ab initio design of charge-mismatched ferroelectric superlattices"*

**2013**

44. Physical Review B 88, 214430

C. Cazorla and J. Iniguez*"Insights into the phase diagram of bismuth ferrite from quasiharmonic free-energy calculations"*

C. Cazorla and J. Boronat

*"Possible superfluidity of molecular hydrogen in a two-dimensional*

crystal phase of sodium"

crystal phase of sodium"

42. Journal of Physics:Condensed Matter 25, 445011

C. Carbonell, F. de Soto, C. Cazorla, J. Boronat, and M.C. Gordillo*"Zero-temperature phase diagram of D _{2} physisorbed on graphane"*

41. Physical Review B 87, 214522

C. Cazorla, Y. Lutsyshyn, and J. Boronat*"Elastic constants of incommensurate solid 4He from diffusion Monte Carlo simulations"*

40. Journal of Physical Chemistry C 117, 11292

C. Cazorla and D. Errandonea*"The high-pressure high-temperature phase diagram of*

CaF_{2} from classical atomistic simulations"

39. Dalton Transactions 42, 4670

C. Cazorla and S. A. Shevlin*"Accuracy of density functional theory in prediction of carbon dioxide adsorbent materials"*

38. Journal of Low Temperature Physics 171, 619

C. Carbonell, F. de Soto, C. Cazorla, J. Boronat, and M.C. Gordillo*"H _{2} physisorbed on graphane"*

**2012**

37. Journal of Materials Chemistry 22, 19684 C.Cazorla, V. Rojas-Cervellera, and C. Rovira*"Calcium-based functionalization of carbon nanostructures forpeptide immobilization in aqueous media"*

36. Journal of Physical Chemistry C 116, 13488

S. A. Shevlin, C. Cazorla and Z. X. Guo*"Structure and defect chemistry of low and high temperature phases of LiBH _{4}"*

35. Journal of Low Temperature Physics 168, 150

R. Rota, Y. Lutsyshyn, C. Cazorla, and J. Boronat*"A microscopic description of vacancies in solid 4He"*

34. Physical Review B 85, 075426

C. Cazorla and M. Stengel *"First-principles modeling of Pt/LaAlO _{3}/SrTiO_{3} capacitors *

under an external bias potential"

33. Physical Review B 85, 064113

C. Cazorla, D. Alfe, and M. J. Gillan*"Constraints on the phase diagram of molybdenum from first-principles free-energy calculations"*

32. Physical Review B 85, 024101

C. Cazorla, Y. Lutsyshyn, and J. Boronat*"Elastic constants of solid 4He under pressure: Diffusion MonteCarlo study"*

**2011**

31. Journal of Chemical Physics 135, 024102

D. Alfe, C. Cazorla and M. J. Gillan*"The kinetics of homogeneous melting beyond the limit of superheating"*

30. Journal of Physical Chemistry C 115, 10990

C. Cazorla, S. A. Shevlin and Z. X. Guo*"Calcium-based functionalization of carbon materials for CO _{2} capture: A first-principles computational study"*

29. Computational Materials Science 50, 2732

C. Cazorla, D. Alfe and M. J. Gillan*"A simple tight-binding model for the study of 4d transition metals under pressure" *

28. Physical Review B 83, 121406(R)

M. C. Gordillo, C. Cazorla and J. Boronat*"Supersolidity in quantum films adsorbed on graphene and graphite"*

**2010**

27. Physical Review B 82, 180506(R) Editor's Suggestion

Y. Lutsyshyn, C. Cazorla, G. E. Astrakharchik and J. Boronat*"Properties of vacancy formation in hcp 4He crystals at zero temperature and fixed pressure"*

26. Physical Review B 82, 155454

C. Cazorla, S. A. Shevlin and Z. X. Guo*"First-principles study of the stability of calcium-decorated carbon nanostructures"*

25. Thin Solid Films 518, 6951

C. Cazorla*"Ab initio study of the binding of collagen amino acidsto graphene and A-doped (A= H, Ca) graphene"*

24. Journal of Physics: Condensed Matter 22, 165402

C. Cazorla, G. Astrakharchick, J. Casulleras and J. Boronat*"Ground-state properties and superfluidity of two- and quasi two-dimensional solid 4He"*

23. Physical Review B 81, 104108

C. Cazorla and D. Errandonea*"Ab initio study of compressed Ar(H _{2})_{2}: structural stability and anomalous melting"*

22. Journal of Low Temperature Physics 158, 608

Y. Lutsyshyn, C. Cazorla and J. Boronat

*"Instability of vacancy clusters in solid 4He"*

21. Science and Supercomputing in Europe, RH6

C. Cazorla and C. Rovira

"*Unraveling the quantum interactions of collagen-like peptides with **carbon-based nanostructures in aqueous media*"

**
**

**2009**

20. Physical Review B 80, 064105

C. Cazorla, D. Errandonea and E. Sola *"High-pressure phases, vibrational properties and electronic structure of Ne(He) _{2} and Ar(He)_{2} : A first-principles study"*

19. Journal of Chemical Physics 130, 174707

C. Cazorla, D. Alfe and M. J. Gillan

*"Melting properties of a simple tight-binding model of transition metals:I.The region of half-filled d-band"*

*18. New Journal of Physics 11, 013047*

C. Cazorla, G. Astrakharchick, J. Casulleras and J. Boronat

*"Bose-Einstein Quantum Statistics and the Ground State of Solid 4He"*

17. Science and Supercomputing in Europe, RH95

C. Cazorla and C. Rovira

"

*Theoretical study of the binding of collagen-like peptide units*

*on carbon-based surfaces and materials*"

**2008**

16. High Pressure Research 28, 449

C. Cazorla, S. Binnie, D. Alfe and M. J. Gillan

*"Effect of the exchange-correlation energy and temperature on the generalized phase diagram of the 4d transition metals"*

15. Physical Review B 78, 134509

C. Cazorla and J. Boronat

*"Two-dimensional molecular para-hydrogen and ortho-deuterium at zero temperature"*

14. Physical Review Letters 101, 049601

C. Cazorla, D. Alfe and M. J. Gillan

*"Comment on Molybdenum at high pressure and temperature: Melting from another solid phase"*

13. Physical Review B 77, 224103

C. Cazorla, D. Alfe and M. J. Gillan

*"Zero-temperature generalized phase diagram of the 4d transition metals under pressure"*

12. Physical Review B 77, 024310

C. Cazorla and J. Boronat

*"Atomic kinetic energy, momentum distribution, and structure of solid neon at zero-temperature"*

11. Journal of Physics: Condensed Matter 20, 015223

C. Cazorla and J. Boronat

*"Zero-temperature equation of state of solid He at low and high pressures"*

10. Journal of Physics: Conference Series 121, 012010

S. Taioli, C. Cazorla, M. J. Gillan and D. Alfe

*"Ab initio melting curve and principal Hugoniot of Tantalum"*

9. Journal of Physics: Conference Series 121, 012009

C. Cazorla, M. J. Gillan, S. Taioli and D. Alfe

*"Melting curve and Hugoniot of Molybdenum up to 400 GPa by ab initio simulations"*

**2007**

8. Physical Review B 75, 214103

S. Taioli, C. Cazorla, M. J. Gillan and D. Alfe

*"Melting curve of Tantalum from first principles calculations"*

*7. Journal of Chemical Physics 126, 194502*

C. Cazorla, M. J. Gillan, S. Taioli and D. Alfe

*"Ab initio Melting Curve of Molybdenum by the Phase Coexistence Method"*

**2006**

6. Physical Review B 73, 2245215

C. Cazorla and J. Boronat

*"Superfluidity versus localization in bulk 4He at zero temperature"*

5. International Journal of Modern Physics B 20, 5154

LV. Markic, J. Boronat, J. Casulleras and C. Cazorla

*"Quantum Monte Carlo study of overpressurized liquid 4He at zero temperature"*

**2005**

4. Physical Review Letters 95, 145302

L. Vranjes, J. Boronat, J. Casulleras and C. Cazorla

*"Quantum Monte Carlo simulation of overpressurized liquid 4He"*

3. Journal of Low Temperature Physics 139, 645

C. Cazorla and J. Boronat

*"Isotopic effects in solid LiH and LiD at very low temperature"*

**2004**

2. Physical Review B 69, 174302

J. Boronat, C. Cazorla, D. Colognesi and M. Zoppi

*"Quantum hydrogen vibrational dynamics in LiH: Neutron-scattering measurements and variational Monte Carlo simulations"*

1. Journal of Low Temperature Physics 134, 43

C. Cazorla and J. Boronat

*"Quantum Monte Carlo study of two-dimensional H*

_{2}on a Rb substrate"

*Ph.D. Thesis**, "QMC study of bosonic quantum solids at zero temperature"*