Jorge Íñiguez @ icmab.csic

Publication List for Jorge Íñiguez

Updated May 2013

70. Electric control of the magnetization in BiFeO₃/LaFeO₃ superlattices
    Zeila Zanolli, Jacek C. Wojdeł, Jorge Íñiguez and Philippe Ghosez
    Submitted.
    
    
69. Universal collaborative couplings between oxygen-octahedral rotations and anti-ferroelectric distortions in perovskites
    L. Bellaiche and Jorge Íñiguez
    Submitted.
    
    
68. First-principles model potentials for lattice-dynamical studies: general methodology and example of application to ferroic perovskite oxides
    Jacek C. Wojdeł, Patrick Hermet, Mathias P. Ljungberg, Philippe Ghosez and Jorge Íñiguez
    Submitted. [arXiv:1301.5731]
    
    
67. Domain walls in a perovskite oxide with two primary structural order parameters: first-principles study of BiFeO₃
    Oswaldo Diéguez, Pablo Aguado-Puente, Javier Junquera and Jorge Íñiguez
    Physical Review B 87, 024102/1-11 (2013). [arXiv:1211.5116]
    
    
66. Temperature-dependent classical phonons from efficient nondynamical simulations
    Mathias P. Ljungberg and Jorge Íñiguez
    Physical Review Letters 110, 105503/1-5 (2013). [arXiv:1212.0158]
    
    
65. Neutral and charged oxygen vacancies induce two-dimensional electron gas near SiO₂/BaTiO₃ interfaces
    Anna V. Kimmel, Jorge Íñiguez, Markys G. Cain and Peter V. Sushko
    Journal of Physical Chemistry Letters 4, 333-7 (2013).
    
    
64. Ferroelectric domains in multiferroic BiFeO₃ films under epitaxial strains
    Wei Ren, Yurong Yang, Oswaldo Diéguez, Jorge Íñiguez, Narayani Choudhury and L. Bellaiche
    Physical Review Letters 110, 187601/1-5 (2013).
    
    
63. Strain engineering magnetic frustration in perovskite oxides
    Carlos Escorihuela-Sayalero, Oswaldo Diéguez and Jorge Íñiguez
    Physical Review Letters 109, 247202/1-5 (2012). [arXiv:1207.6859]
    
    
62. Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene (and Diselenolene) Gold Complexes
    Gilles Yzambart, Nathalie Bellec, Ghassan Nasser, Olivier Jeannin, Marc Fourmigué, Pascale Auban-Senzier, Jorge Íñiguez, Enric Canadell and Dominique Lorcy
    Journal of the American Chemical Society 134, 17138-48 (2012).
    
    
61. Novel nanoscale twinned phases in perovskite oxides
    S. Prosandeev, Dawei Wang, Wei Ren, Jorge Íñiguez and L. Bellaiche
    Advanced Functional Materials 23, 234-40 (2013).
    
    
60. Ab initio study of the factors affecting the ground state of rare-earth nickelates
    Sergey Prosandeev, L. Bellaiche and Jorge Íñiguez
    Physical Review B 85, 214431/1-7 (2012).
    
    
59. Magnetic cycloid of BiFeO₃ from atomistic simulations
    D. Rahmedov, Dawei Wang, Jorge Íñiguez and L. Bellaiche
    Physical Review Letters 109, 037207/1-5 (2012).
    
    
58. First principles study of a pressure-induced spin transition in multiferroic Bi₂FeCrO₆
    Marco Goffinet, Jorge Íñiguez and Philippe Ghosez
    Physical Review B 86, 024415/1-6 (2012).
    
    
57. Spin-phonon coupling effects in transition-metal perovskites: a DFT+U and hybrid-functional study
    Jiawang Hong, Alessandro Stroppa, Jorge Íñiguez, Silvia Picozzi and David Vanderbilt
    Physical Review B 85, 054417/1-12 (2012). [arXiv:1112.5205]
    
    
56. First-principles investigation of the structural phases and enhanced response properties of the BiFeO₃-LaFeO₃ multiferroic solid solution
    O. E. González-Vázquez, Jacek C. Wojdeł, Oswaldo Diéguez and Jorge Íñiguez
    Physical Review B 85, 064119/1-10 (2012).
    
    
55. Electroresistance effect in ferroelectric tunnel junctions with symmetric electrodes
    D.I. Bilc, F.D. Novaes, Jorge Íñiguez, P. Ordejón and Ph. Ghosez
    ACS Nano 6, 1473–8 (2012).
    
    
54. Exchange bias in LaNiO₃/LaMnO₃ superlattices
    Marta Gibert, Pavlo Zubko, Raoul Scherwitzl, Jorge Íñiguez and Jean-Marc Triscone
    Nature Materials 11, 195–8 (2012).
    
    
53. Fermi resonance involving non-linear dynamical couplings in Pb(Zr,Ti)O₃ solid solutions
    Dawei Wang, E. Buixaderas, Jorge Íñiguez, Jeevaka Weerasinghe, Hong Wang and L. Bellaiche
    Physical Review Letters 107, 175502/1-5 (2011).
    
    
52. Multiferroic phase transition near room temperature in BiFeO₃ films
    I.C. Infante, J. Juraszek, S. Fusil, B. Dupé, P. Gemeiner, O. Diéguez, F. Pailloux, S. Jaouen, E. Jacquet, G. Geneste, J. Pacaud, Jorge Íñiguez, L. Bellaiche, A. Barthlémy, B. Dkhil and M. Bibes
    Physical Review Letters 107, 237601/1-4 (2011). [arXiv:1105.6016]
    
    
51. First-principles investigation of morphotropic transitions and phase-change functional responses in BiFeO₃-BiCoO₃ multiferroic solid solutions
    Oswaldo Diéguez and Jorge Íñiguez
    Physical Review Letters 107, 057601/1-5 (2011). [arXiv:1105.2043]
    
    
50. Ab initio study of proper topological ferroelectricity in layered perovskite La₂Ti₂O₇
    Jorge López-Pérez and Jorge Íñiguez
    Physical Review B 84, 075121/1-13 (2011). [arXiv:1101.2066]
    
    
49. First-principles predictions of low-energy phases of multiferroic BiFeO₃
    Oswaldo Diéguez, O. E. González-Vázquez, Jacek C. Wojdeł and Jorge Íñiguez
    Physical Review B 83, 094105/1-13 (2011). [arXiv:1011.0563]
    
    
48. Ab initio indications for giant magnetoelectric effects driven by structural softness
    Jacek C. Wojdeł and Jorge Íñiguez
    Physical Review Letters 105, 037208/1-4 (2010). [arXiv:1004.3152]
    
    
47. Efficient computational method for structural studies of crystals with substitutional disorder
    Roberta Poloni, Jorge Íñiguez, Alberto García and Enric Canadell
    Journal of Physics: Condensed Matter 22, 415401/1-16 (2010).
    
    
46. Tuning the atomic and domain structure of epitaxial films of multiferroic BiFeO₃
    C. J. M. Daumont, S. Farokhipoor, A. Ferri, J. C. Wojdeł, Jorge Íñiguez, B. J. Kooi and B. Noheda
    Physical Review B 81, 144115/1-6 (2010). [arXiv:0911.4502]
    
    
45. Status of modelling for nanoscale information processing and storage devices
    M. Macucci, S. Roche, A. Correia, J. Greer, X. Bouju, M. Brandbyge, J. J. Saenz, M. Bescond, D. Rideau, P. Blaise, D. Sanchez-Portal, Jorge Íñiguez, G. Cuniberti and H. Sevincli
    E-Nano Newsletter (Issue 16, November 2009), published by the PHANTOMS Foundation.
    
    
44. A single-component molecular metal based on a thiazole dithiolate gold complex
    Nadine Tenn, Nathalie Bellec, Olivier Jeannin, Lidia Piekara-Sady, Pascale Auban-Senzier, Jorge Íñiguez, Enric Canadell and Dominique Lorcy
    Journal of the American Chemical Society 131, 16961-7 (2009).
    
    
43. Magnetoelectric response of multiferroic BiFeO₃ and related materials from first principles calculations
    Jacek C. Wojdeł and Jorge Íñiguez
    Physical Review Letters 103, 267205/1-4 (2009). [arXiv:0907.5281]
    
    
42. Phonons in the cubic phase of Co₃B₇O₁₃X (X = Cl, Br, I) boracites
    J. Pascual, Jorge Íñiguez, M.N. Iliev, V.G. Hadjiev and J. Meen
    Physical Review B 79, 104115/1-6 (2009).
    
    
41. Pressure-induced structural, electronic, and magnetic effects in BiFeO₃
    O. E. González-Vázquez and Jorge Íñiguez
    Physical Review B 79, 064102/1-6 (2009). [arXiv:0810.0856]
    
    
40. CaFeO₂: a new type of layered structure with iron in a distorted square planar coordination
    Cédric Tassel, José Miguel Pruneda, Naoaki Hayashi, Takashi Watanabe, Atsushi Kitada, Yoshihiro Tsujimoto, Hiroshi Kageyama, Kazuyoshi Yoshimura, Mikio Takano, Masakazu Nishi, Kenji Ohoyama, Masaichiro Mizumaki, Naomi Kawamura, Jorge Íñiguez and Enric Canadell
    Journal of the American Chemical Society 131, 221-9 (2009).
    
    
39. Raman imaging approach to the study of ferroelectric domains and Raman spectra of multiferroic boracites
    Milko N. Iliev, Viktor G. Hadjiev, Jorge Íñiguez and Jordi Pascual
    Acta Physica Polonica A 209, 19-24 (2009).
    Proceedings of the "Fall Meeting of the European Materials Research Society" (Warsaw, 2008).
    
    
38. Phonons and magnetoelectric interactions in Ni₃V₂O₈
    T. Yildirim, L.I. Vergara, Jorge Íñiguez, J.L. Musfeldt, A.B. Harris, N. Rogado, R.J. Cava, F. Yen, R.P. Chaudhury and B. Lorenz
    Journal of Physics: Condensed Matter 20, 434214/1-11 (2008).
    
    
37. Structural and electronic properties of SrFeO₂ from first-principles
    J.M. Pruneda, Jorge Íñiguez, E. Canadell, H. Kageyama and M. Takano
    Physical Review B 78, 115101/1-5 (2008). [arXiv:0804.0495]
    
    
36. First-principles approach to lattice-mediated magnetoelectric effects
    Jorge Íñiguez
    Physical Review Letters 101, 117201/1-4 (2008). [arXiv:0803.0856]
    
    
35. First-principles investigation of hydrogen storage in metal-intercalated graphitic materials
    Manuel Cobian and Jorge Íñiguez
    Journal of Physics: Condensed Matter 20, 285212/1-11 (2008). [arXiv:0806.3006]
    
    
34. Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides
    D.I. Bilc, R. Orlando, R. Shaltaf, G.-M. Rignanese, Jorge Íñiguez and Ph. Ghosez
    Physical Review B 77, 165107/1-13 (2008). [arXiv:0805.0753]
    
    
33. Modelling of carbon-based materials for hydrogen storage
    Jorge Íñiguez
    Chapter 8 of Solid State Hydrogen Storage: Materials and Chemistry
    Gavin Walker, ed. (Woodhead Publishing Limited, Cambridge, 2008).
    
    
32. Vibrational properties of TiH_n complexes adsorbed on carbon nanostructures
    Jorge Íñiguez, Wei Zhou and Taner Yildirim
    Chemical Physics Letters 444, 140-4 (2007).
    
    
31. Theoretical phase diagram of ultrathin films of incipient ferroelectrics
    A.R. Akbarzadeh, L. Bellaiche, Jorge Íñiguez and David Vanderbilt
    Applied Physics Letters 90, 242918/1-3 (2007). [cond-mat/0702285]
    
    
30. Amorphization induced by pressure: results for zeolites and general implications
    Inmaculada Peral and Jorge Íñiguez
    Physical Review Letters 97, 225502/1-4 (2006). [cond-mat/0609160]
    
    
29. Effects of vacancies on properties of relaxor ferroelectrics: a first-principles study
    L. Bellaiche, Jorge Íñiguez, Eric Cockayne and B.P. Burton
    Physical Review B 75, 014111/1-5 (2007). [cond-mat/0610093]
    
    
28. First-principles simulations on the nature of the melting line of sodium
    Eduardo R. Hernández and Jorge Íñiguez
    Physical Review Letters 98, 055501/1-4 (2007). [cond-mat/0603797]
    
    
27. Hydrogen-related catalytic effects of Ti and other light transition metals on NaAlH₄ surfaces
    Jorge Íñiguez and Taner Yildirim
    Journal of Physics: Condensed Matter 19, 176007/1-8 (2007). [cond-mat/0604472]
    
    
26. Symmetry breaking at the nanoscale and diffuse transitions in ferroelectrics: A comparative study of PbSc_0.5Nb_0.5O₃ and PbZr_0.6Ti_0.4O₃
    Jorge Íñiguez and L. Bellaiche
    Physical Review B 73, 144109/1-5 (2006).
    
    
25. Molecular and dissociative adsorption of multiple hydrogens on transition metal decorated C₆₀
    Taner Yildirim, Jorge Íñiguez and S. Ciraci
    Physical Review B (BR) 72, 153403/1-4 (2005). [cond-mat/0505046]
    
    
24. First-principles study of Ti-doped sodium alanate surfaces
    Jorge Íñiguez and Taner Yildirim
    Applied Physics Letters 86, 103109/1-3 (2005). [cond-mat/0410508]
    
    
23. Unusual structural tuning of magnetism in cuprate perovskites
    Jorge Íñiguez and Taner Yildirim
    Physical Review B (RC) 71, 180415/1-4 (2005). [cond-mat/0407677]
    
    
22. Orbital and spin chains in ZnV₂O₄
    S.-H. Lee, D. Louca, H. Ueda, S. Park, T.J. Sato, M. Isobe, Y. Ueda, S. Rosenkranz, P. Zschack, Jorge Íñiguez, Y. Qiu and R. Osborn
    Physical Review Letters 93, 156407/1-4 (2004).
    
    
21. Structure and hydrogen dynamics of pure and Ti-doped sodium alanate
    Jorge Íñiguez, Taner Yildirim, T.J. Udovic, M. Sulic and C.M. Jensen
    Physical Review B (RC) 70, 060101/1-4 (2004). [cond-mat/0401161]
    
    
20. Atomistic simulations of the incipient ferroelectric KTaO₃
    A.R. Akbarzadeh, L. Bellaiche, Kevin Leung, Jorge Íñiguez and David Vanderbilt
    Physical Review B 70, 054103/1-5 (2004). [cond-mat/0401318]
    
    
19. Dynamics of Berry-phase polarization in time-dependent electric fields
    Ivo Souza, Jorge Íñiguez and David Vanderbilt
    Physical Review B 69, 085106/1-16 (2004). [cond-mat/0309259]
    
    
18. Effects of atomic short-range order on the properties of perovskite alloys in the morphotropic phase boundary
    A.M. George, Jorge Íñiguez and L. Bellaiche
    Physical Review Letters 91, 045504/1-4 (2003). [cond-mat/0309413]
    
    
17. First-principles study of (BiScO₃)_1-x - (PbTiO₃)_x piezoelectric alloys
    Jorge Íñiguez, David Vanderbilt and L. Bellaiche
    Physical Review B 67, 224107/1-6 (2003). [cond-mat/0302277]
    
    
16. Quantitative analysis of the first-principles effective-Hamiltonian approach to ferroelectric perovskites
    Silvia Tinte, Jorge Íñiguez, Karin M. Rabe and David Vanderbilt
    Physical Review B  67, 064106/1-8 (2003). [cond-mat/0210496]
    
    
15. First-principles approach to insulators in finite electric fields
    Ivo Souza, Jorge Íñiguez and David Vanderbilt
    Physical Review Letters 89, 117602/1-4 (2002). [cond-mat/0205633]
    
    
14. First-principles study of the temperature-pressure phase diagram of BaTiO₃
    Jorge Íñiguez and David Vanderbilt
    Physical Review Letters 89, 115503/1-4 (2002). [cond-mat/0204497]
    
    
13. Pressure amorphization through displacive disorder
    Morrel H. Cohen, Jorge Íñiguez and J.B. Neaton
    European Physical Journal E 9(3), 239-43 (2002),
    Proceedings of "Horizons in complex systems" (Messina, 2001), H. Herrmann et al., eds.
    
    
12. Effective-Hamiltonian modeling of external pressures in ferroelectric perovskites
    Jorge Íñiguez, J.B. Neaton and D. Vanderbilt
    Proceedings of "Fundamental Physics of Ferroelectrics" (Washington DC, 2002),
    R.E. Cohen, ed. (AIP, Melville, New York, 2002), p. 56-63. [cond-mat/0203305]
    
    
11. Flat branches and pressure amorphization
    Morrel H. Cohen, Jorge Íñiguez and J.B. Neaton
    Journal of Non-Crystalline Solids 307-310, 602-12 (2002),
    Proceedings of 4th IDMRS (Crete, 2001), K. Ngai, ed. [cond-mat/0112323]
    
    
10. Optical phonons associated with the low-temperature ferroelectric properties of perovskite solid solutions
    A.M. George, Jorge Íñiguez and L. Bellaiche
    Physical Review B (RC) 65, 180301/1-4 (2002).
    
    
9. Anomalous properties in ferroelectrics induced by atomic ordering
   A.M. George, Jorge Íñiguez and L. Bellaiche
   Nature 413, 54-7 (2001).
   
   
8. Ab-initio design of perovskite alloys with predetermined properties: the case of Pb(Sc_0.5Nb_0.5)O₃
   Jorge Íñiguez and L. Bellaiche
   Physical Review Letters 87, 095503/1-4 (2001). [cond-mat/0110044]
   
   
7. Devonshire-Landau free energy of BaTiO₃ from first principles
   Jorge Íñiguez, S. Ivantchev, J.M. Perez-Mato and Alberto Garcia
   Physical Review B 63, 144103/1-8 (2001). [cond-mat/0009430]
   
   
6. Thermally diluted Ising systems
   Manuel I. Marqués, Julio A. Gonzalo and Jorge Íñiguez
   Fractals 11 Suppl., 53-65 (2003),
   Proceedings of "International Workshop on Scaling and Disordered Systems" (Paris, 2000),
   M. Daoud, H.J. Herrmann and H.E. Stanley, eds.
   
   
5. Local mode transferability from cubic perovskite to hexagonal barium titanate
   Jorge Íñiguez, Alberto García and J.M. Pérez-Mato
   Proceedings of "Fundamental Physics of Ferroelectrics" (Aspen, 2000),
   R.E. Cohen, ed. (AIP, Melville, New York, 2000), p. 88-94. [local copy]
   
   
4. Analysis of soft optical modes in hexagonal BaTiO₃: transference of perovskite local distortions
   Jorge Íñiguez, Alberto García and J.M.  Pérez-Mato
   Journal of Physics: Condensed Matter 12, L387-91 (2000).
   
   
3. Universality class of thermally diluted Ising systems at criticality
   Manuel I. Marqués, Julio A. Gonzalo and Jorge Íñiguez
   Physical Review E 62, 191-6 (2000). [cond-mat/0001388]
   
   
2. First-principles study of the structural instabilities of hexagonal barium titanate: coupling between the soft optical and the acoustic modes
   Jorge Íñiguez, Alberto García and J.M. Pérez-Mato
   Ferroelectrics 237 (1-4), 329-36 (2000),
   Proceedings of the "9th European Meeting on Ferroelectricity" (Prague, 1999), M. Glogarova et al., eds. [cond-mat/9907369]
   
   
1. Optimized local modes for lattice-dynamical applications
   Jorge Íñiguez, Alberto García and J.M. Pérez-Mato
   Physical Review B (BR) 61, 3127-30 (2000). [cond-mat/9904306]