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Rapid Hydrothermal Synthesis of VO2 (B) and Its Conversion to Thermochromic VO2 (M1)

Srinivasa Popuri Rao , Marinela Miclau , Alla Artemenko , Christine Labrugere , Antoine Villesuzanne , et al.
Inorganic Chemistry, 2013, 52 (9), pp.4780-4785. ⟨10.1021/ic301201k⟩
Article dans une revue hal-00834741v1
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Structurally restricted phase transitions in VO2(B) and their impact on transport properties

Srinivasa Rao Popuri Popuri , Alla Artemenko , Rodolphe Decourt , Michaël Josse , U-Chan Chung Seu , et al.
Journal of Physical Chemistry C, 2015, 119 (44), pp.25085-25092. ⟨10.1021/acs.jpcc.5b07826⟩
Article dans une revue hal-01225684v1

Analysis of the spin exchange interactions and the ordered magnetic structures of lithium transition metal phosphates LiMPO4 (M = Mn, Fe, Co, Ni) with the olivine structure

Dadi Dai , Myung-Hwan Whangbo , H.-J. Koo , Xavier Rocquefelte , Stéphane Jobic , et al.
Inorganic Chemistry, 2005, vol. 44, n° 7, p. 2407-2413. ⟨10.1021/ic048431w⟩
Article dans une revue hal-00022227v1

Synthesis, crystal structure, magnetic properties, and electronic structure of the new ternary vanadate CuMnVO4

Hamdi Ben Yahia , Etienne Gaudin , Jacques Darriet , Michael Banks , Reinhard K. Kremer , et al.
Inorganic Chemistry, 2005, vol. 44, n° 9, p. 3087-3093. ⟨10.1021/ic048244y⟩
Article dans une revue hal-00022526v1
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Impact of anionic ordering on the iron site distribution and valence states in oxyfluoride Sr2FeO3+xF1–x (x = 0.08, 0.2) with a layered perovskite network

Jacinthe Gamon , Jean-Marc. Bassat , Antoine Villesuzanne , Mathieu Duttine , François Weill , et al.
Inorganic Chemistry, 2023, 62 (27), pp.10822-10832. ⟨10.1021/acs.inorgchem.3c01455⟩
Article dans une revue hal-04160282v1

A density functional theory study of oxygen diffusion in LaAlO3 and SrTiO3

Mireille Lontsi Fomena , Antoine Villesuzanne , Jean-Pierre Doumerc , Christine Frayret , Michel Pouchard
Computational Materials Science, 2008, 44 (1), pp.53-60. ⟨10.1016/j.commatsci.2008.01.046⟩
Article dans une revue istex hal-00380289v1

Anisotropic ionic transport properties in La2NiO4+δ single crystals

Jean-Marc. Bassat , P. Odier , Antoine Villesuzanne , Christophe Marin , Michel Pouchard
Solid State Ionics, 2004, 167 (3-4), pp.341-347. ⟨10.1016/j.ssi.2003.12.012⟩
Article dans une revue istex hal-00137969v1

Dielectric investigation of a new TKWB lead free relaxor

Régnault von Der Mühll , Annie Simon , Catherine Elissalde , Antoine Villesuzanne
Journal of Physics and Chemistry of Solids, 2004, 65 (6), pp.1039-1043. ⟨10.1016/j.jpcs.2003.11.023⟩
Article dans une revue istex hal-00138835v1

Investigation of the electronic and structural properties of potassium hexaboride, KB6, by transport, magnetic susceptibility, EPR, and NMR measurements, temperature-dependent crystal structure determination, and electronic band structure calculations

Abdelaziz Ammar , Michel Ménétrier , Antoine Villesuzanne , Samir F. Matar , Bernard Chevalier , et al.
Inorganic Chemistry, 2004, 43 (16), pp.4974-4987. ⟨10.1021/ic049444c⟩
Article dans une revue hal-00146207v1
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A systematic ab initio study of vacancy formation energy, diffusivity, and ionic conductivity of Ln2NiO4+δ (Ln=La, Nd, Pr)

Songge Yang , Guangchen Liu , Yueh-Lin Lee , Jean-Marc. Bassat , Jacinthe Gamon , et al.
Journal of Power Sources, 2023, 576, pp.233200. ⟨10.1016/j.jpowsour.2023.233200⟩
Article dans une revue hal-04112388v1
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Nanostructure of pyrocarbons : from HRTEM imaging to 3D atomistic models

Jean-Marc Leyssale , Jean-Pierre da Costa , Christian Germain , Patrick Weisbecker , Antoine Villesuzanne , et al.
Proceedings of Carbon 2011, Jul 2011, France. 5 p
Communication dans un congrès hal-00669484v1
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First principles study of the electronic and magnetic structures of the tetragonal and orthorhombic phases of Ca3Mn2O7

Samir F. Matar , Volker Eyert , Antoine Villesuzanne , Myung-Hwan Whangbo
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 76 (5), pp.054403. ⟨10.1103/PhysRevB.76.054403⟩
Article dans une revue hal-00123652v1

Density functional theory analysis of the interplay between Jahn-Teller instability, uniaxial magnetism, spin arrangement, metal-metal interaction and spin-orbit coupling in Ca3CoMO6 (M = Co, Rh, Ir)

Yuemei Zhang , Erjun Kan , Hongjun Xiang , Antoine Villesuzanne , Myung-Hwan Whangbo
Inorganic Chemistry, 2011, 50 (5), pp.1758-1766. ⟨10.1021/ic1022278⟩
Article dans une revue hal-00572768v1

Transparent conducting materials: insights from hybrid Hartree-Fock density functional calculations

Antoine Villesuzanne , Xiaoping Han , Meilan Guo , Guosheng Shao , J. Dutson
6th International Symposium on Structure-Property Relationships in Solid State Materials - SPSSM 2016, Jul 2016, Nantes, France
Communication dans un congrès hal-03171032v1
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Are superconductivity mechanisms a matter for chemists?

Michel Pouchard , Antoine Villesuzanne
Condensed Matter, 2020, 5 (4), 67 (30 p.). ⟨10.3390/condmat5040067⟩
Article dans une revue hal-02982358v1

Real-space pairing through charge transfer excitons in High-Tc cuprates

Michel Pouchard , Jean-Pierre Doumerc , Antoine Villesuzanne
Inorganic Chemistry, 2008, 47 (24), pp.11958-11964. ⟨10.1021/ic801266q⟩
Article dans une revue istex hal-00350956v1

Ferroelectric and crystallographic properties of the Sr2−xK1+xNb5O15−xFx solid solution

Hanan El Alaoui-Belghiti , Annie Simon , Pierre Gravereau , Antoine Villesuzanne , Mohamed Elaatmani , et al.
Solid State Sciences, 2002, 4 (7), pp.933-940. ⟨10.1016/S1293-2558(02)01343-2⟩
Article dans une revue istex hal-00717782v1

Effect of metal-oxygen covalent bonding on the competition between Jahn-Teller distortion and charge disproportionation in the perovskites of high-spin d(4) metal ions LaMnO(3) and CaFeO(3).

Myung-Hwan Whangbo , H.-J. Koo , Antoine Villesuzanne , Michel Pouchard
Inorganic Chemistry, 2002, 41 (7), pp.1920-1929. ⟨10.1021/ic0110427⟩
Article dans une revue istex hal-00712870v1
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Presence of Peierls pairing and absence of insulator-to-metal transition in VO2 (A): a structure-property relationship study.

Srinivasa Rao Popuri , Alla Artemenko , Rodolphe Decourt , Antoine Villesuzanne , Michaël Pollet
Physical Chemistry Chemical Physics, 2017, 19 (9), pp.6601-6609. ⟨10.1039/C7CP00248C⟩
Article dans une revue hal-01490262v1
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Molecular-dynamics simulations of binary Pd-Si metal alloys: Glass formation, crystallisation and cluster properties

Muhammad Faruq , Antoine Villesuzanne , Guosheng Shao
Journal of Non-Crystalline Solids, 2018, 487, pp.72-86. ⟨10.1016/j.jnoncrysol.2018.02.016⟩
Article dans une revue hal-01794193v1

Density functional theory calculations on microscopic aspects of oxygen diffusion in ceria-based materials.

Christine Frayret , Antoine Villesuzanne , Michel Pouchard , Samir F. Matar
International Journal of Quantum Chemistry, 2005, vol. 101, n° 6, p. 826-839. ⟨10.1002/qua.20343⟩
Article dans une revue istex hal-00021193v1

Electronic structure analysis of the difference between Cs2AgF4 and Rb2MnF4 in their magnetic properties and single crystal structure determination of Rb2MnF4

Dadi Dai , Myung-Hwan Whangbo , Jürgen Köhler , C. Hoch , Antoine Villesuzanne
Chemistry of Materials, 2006, 18 (14), pp.3281-3286. ⟨10.1021/cm060465+⟩
Article dans une revue istex hal-00118156v1

Analysis of the effect of spin-orbit coupling on the electronic structure and excitation spectrum of the Bi22- anion in (K-crypt)2Bi2 on the basis of relativistic electronic structure calculations

Dadi Dai , Myung-Hwan Whangbo , Angel Ugrinov , Slavi C. Sevov , Fan Wang , et al.
Journal of Physical Chemistry A, 2005, vol. 109, n° 8, p. 1675-1683. ⟨10.1021/jp044675q⟩
Article dans une revue istex hal-00022204v1
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Discussion on the structural anisotropy of würtzite-type compounds

Isabelle Trenque , Stéphane Mornet , Antoine Villesuzanne , Manuel Gaudon
Solid State Sciences, 2013, 21, pp.81-84. ⟨10.1016/j.solidstatesciences.2013.04.013⟩
Article dans une revue hal-00834797v1

First principles investigation of the electronic structure of La2MnNiO6: A room-temperature insulating ferromagnet

Samir F. Matar , M. A. Subramanian , Volker Eyert , Myung-Hwan Whangbo , Antoine Villesuzanne
Journal of Magnetism and Magnetic Materials, 2007, 308, pp.116-119. ⟨10.1016/j.jmmm.2006.05.029⟩
Article dans une revue hal-00112516v1

On the electronic structure required for the uniaxial magnetic properties of the magnetic metal SrCo6O11

Changhoon Lee , Myung-Hwan Whangbo , Antoine Villesuzanne
Chemistry of Materials, 2007, 19 (11), pp.2712-2714. ⟨10.1021/cm0706191⟩
Article dans une revue istex hal-00158266v1

Large negative magnetoresistance of the rare-earth transition-metal intermetallic compound PrMnSi2

Sang-Hwan Kim , Dong-Kyun Seo , Reinhard K. Kremer , Jürgen Köhler , Antoine Villesuzanne , et al.
Chemistry of Materials, 2005, 17 (25), pp.6338-6341. ⟨10.1021/cm051669d⟩
Article dans une revue istex hal-00018821v1

Identifying doping strategies to optimize the oxide ion conductivity in ceria-based materials

Christine Frayret , Antoine Villesuzanne , Michel Pouchard , Fabrice Mauvy , Jean-Marc. Bassat , et al.
Journal of Physical Chemistry C, 2010, 114 (44), pp.19062-19076. ⟨10.1021/jp101156f⟩
Article dans une revue hal-00545082v1

Energy levels and deformation potentials for rocksalt MgO

A. Gueddim , N. Bouarissa , Antoine Villesuzanne
Optik, 2013, 124 (17), pp.2670-2673. ⟨10.1016/j.ijleo.2012.08.092⟩
Article dans une revue istex hal-00860463v1

Analysis of the electron localization, the anisotropy of electrical conductivity, the orbital ordering, and spin-exchange interactions in BaVS3 on the basis of first principles and semi-empirical electronic structure calculations

Myung-Hwan Whangbo , H.-J. Koo , Dadi Dai , Antoine Villesuzanne
Journal of Solid State Chemistry, 2002, 165 (2), pp.345-358. ⟨10.1006/jssc.2002.9550⟩
Article dans une revue istex hal-00717026v1