|
|
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.
Article dans une revue
hal-04160282v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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.
Article dans une revue
hal-00834741v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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.
Article dans une revue
hal-00022227v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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.
Article dans une revue
hal-01225684v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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.
Article dans une revue
hal-00022526v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
Molecular-dynamics simulations of binary Pd-Si metal alloys: Glass formation, crystallisation and cluster properties
Muhammad Faruq
,
Antoine Villesuzanne
,
Guosheng Shao
Article dans une revue
hal-01794193v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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
Article dans une revue
hal-01490262v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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
Article dans une revue
istex
hal-00712870v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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.
Article dans une revue
istex
hal-00022204v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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
Article dans une revue
istex
hal-00118156v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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
Article dans une revue
hal-00123652v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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
Article dans une revue
hal-00572768v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
Are superconductivity mechanisms a matter for chemists?
Michel Pouchard
,
Antoine Villesuzanne
Article dans une revue
hal-02982358v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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.
Article dans une revue
istex
hal-00717782v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
Real-space pairing through charge transfer excitons in High-Tc cuprates
Michel Pouchard
,
Jean-Pierre Doumerc
,
Antoine Villesuzanne
Article dans une revue
istex
hal-00350956v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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.
Article dans une revue
hal-04112388v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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.
Article dans une revue
hal-00146207v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
A density functional theory study of oxygen diffusion in LaAlO3 and SrTiO3
Mireille Lontsi Fomena
,
Antoine Villesuzanne
,
Jean-Pierre Doumerc
,
Christine Frayret
,
Michel Pouchard
Article dans une revue
istex
hal-00380289v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
Anisotropic ionic transport properties in La2NiO4+δ single crystals
Jean-Marc. Bassat
,
P. Odier
,
Antoine Villesuzanne
,
Christophe Marin
,
Michel Pouchard
Article dans une revue
istex
hal-00137969v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
Dielectric investigation of a new TKWB lead free relaxor
Régnault von Der Mühll
,
Annie Simon
,
Catherine Elissalde
,
Antoine Villesuzanne
Article dans une revue
istex
hal-00138835v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
Discussion on the structural anisotropy of würtzite-type compounds
Isabelle Trenque
,
Stéphane Mornet
,
Antoine Villesuzanne
,
Manuel Gaudon
Article dans une revue
hal-00834797v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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
Article dans une revue
hal-00112516v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
On the electronic structure required for the uniaxial magnetic properties of the magnetic metal SrCo6O11
Changhoon Lee
,
Myung-Hwan Whangbo
,
Antoine Villesuzanne
Article dans une revue
istex
hal-00158266v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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.
Article dans une revue
istex
hal-00018821v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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.
Article dans une revue
hal-00545082v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
Energy levels and deformation potentials for rocksalt MgO
A. Gueddim
,
N. Bouarissa
,
Antoine Villesuzanne
Article dans une revue
istex
hal-00860463v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|
|
|
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
Article dans une revue
istex
hal-00717026v1
|
Partager
Gmail
Facebook
X
LinkedIn
More
|