J. Raulot

发表

Fe-doped CuInSe 2 : An ab initio study of magnetic defects in a photovoltaic material

C. Domain, J. Guillemoles, J. Raulot, 2005 .

Complete martensitic transformation sequence and magnetic properties of non-stoichiometric Ni2Mn1.2Ga0.8 alloy by first-principles calculations

Jing Bai, C. Esling, J. Raulot, 2019, Journal of Magnetism and Magnetic Materials.

Lead Stereochemistry in Incommensurate Ferroelectric Perovskites and in Incommensurate Lead Monoxide

R. Seshadri, J. Raulot, G. Baldinozzi, 2002 .

Structural, electronic, and optical properties of rare-earth-doped SrTiO3 perovskite: A first-principles study

Hanxing Liu, H. Hao, J. Raulot, 2022, Physica B: Condensed Matter.

An ab-initio study of the rôle of lone pairs in the structure and insulator–metal transition in SnO and PbO

P. Cortona, R. Seshadri, J. Raulot, 2002 .

Ab initio investigation of potential indium and gallium free chalcopyrite compounds for photovoltaic application

C. Domain, J. Guillemoles, J. Raulot, 2005 .

Magnetic-field-enhanced carbon solution in proeutectoid ferrite

C. Esling, Xiao Zhang, J. Raulot, 2013 .

Defect formation energy and magnetic structure of shape memory alloys Ni-X-Ga "X=Mn, Fe, Co… by first principle calculation

Jing Bai, C. Esling, J. Raulot, 2010 .

Structure Stability and Magnetic Properties of Ni2XGa (X = Mn, Fe, Co) Ferromagnetic Shape Memory Alloys by DFT Approach

Jing Bai, C. Esling, J. Raulot, 2010 .

Reinvestigation of the Incommensurate Structure of αPbO.

V. Petříček, J. Raulot, G. Baldinozzi, 2002 .

Structure and Phase Stability of NiMnGa Ferromagnetic Shape Memory Alloys by Experimental and Ab Initio Techniques

C. Esling, J. Raulot, L. Zuo, 2010 .

Structural and Physical Properties of DyCu, NdAg, LaCd, YIn, ErCu, ErAg, and ErAu Rare-Earth Intermetallic Compounds: Ab initio Investigations Analyzed by Data Mining Technique

J. Raulot, A. Benzair, A. Sekkal, 2020, Physics of the Solid State.

First principle study of the effect of Ti and Zr transition metals located in bulk D03Fe3Al and ∑5 (310)[001] grain boundary

H. Aourag, T. Grosdidier, J. Raulot, 2012 .

Ab initio calculations and interatomic potentials for iron and iron alloys : Achievements within the Perfect Project

M. Marinica, C. Domain, G. Bonny, 2010 .

Structural and thermal properties of Fe3Al, Fe3AlC and hypothetical Fe3AlX (X = H, B, N, O) compounds: Ab initio and quasi-harmonic Debye modelling

T. Grosdidier, J. Raulot, A. Kellou, 2010 .

Atomistic study of magnetism effect on structural stability in Fe3Al and Fe3AlX (X = H, B, C, N, O) alloys

H. Aourag, T. Grosdidier, J. Raulot, 2008 .

Atomistic study of the effect of B addition in the FeAl compound

H. Aourag, T. Grosdidier, J. Raulot, 2008, Journal of Materials Science.

Atomistic modeling of an Fe system with a small concentration of C

C. Domain, C. Becquart, J. Raulot, 2007 .

Variant selection criterion for twin variants in titanium alloys deformed by rolling

M. Philippe, C. Esling, J. Raulot, 2012 .

Classification of the critical resolved shear stress in the hexagonal-close-packed materials by atomic simulation: Application to α-zirconium and α-titanium

M. Philippe, C. Esling, J. Raulot, 2011 .

The role of Cu in displacement cascades examined by molecular dynamics

C. Domain, C. Becquart, J. Raulot, 2001 .

Investigation on vibrational, electronic excitation entropy and magnetic moment contributions to phase stability of off-stoichiometric Ni50MnxIn50-x alloys at finite temperatures by first-principle calculations

C. Esling, J. Raulot, L. Zuo, 2020, Journal of Physics D: Applied Physics.

Composition-dependent ground state of martensite in Ni–Mn–Ga alloys

C. Esling, J. Raulot, L. Zuo, 2013 .

Ab initio investigation of the CdTe (001) surface

H. Faraoun, J. Raulot, H. Mariette, 2009 .

Ti and Zr Transition Metals Effect in the D03 Fe3Al by Ab Initio Study Approach

H. Aourag, T. Grosdidier, J. Raulot, 2014 .

Energetics of Ti and Zr transition metals in D03-Fe3Al and its Σ5 (310) [001] grain boundary

H. Aourag, T. Grosdidier, J. Raulot, 2012 .

Density Functional Theory and Ab Initio Molecular Dynamics Study of the Effect of Ti and Zr Transition Metals in D03 Fe3Al

H. Aourag, T. Grosdidier, J. Raulot, 2012 .

Atomistic simulations of Cu2O bulk and Cu/Cu2O interface properties by using a new interatomic potential

M. Cherkaoui, J. Raulot, A. Hallil, 2014 .

Crystallographic, magnetic, and electronic structures of ferromagnetic shape memory alloys Ni2XGa (X=Mn,Fe,Co) from first-principles calculations

C. Esling, J. Raulot, L. Zuo, 2011 .

The effects of alloying element Co on Ni–Mn–Ga ferromagnetic shape memory alloys from first-principles calculations

C. Esling, J. Raulot, L. Zuo, 2011 .

Investigation on the preference of the martensitic structure in off-stoichiometric Ni-Mn-In alloys by first-principle calculations

C. Esling, J. Raulot, L. Zuo, 2020 .

First-principles investigations of crystallographic, magnetic, and electronic structures in Ni2XIn (X = Mn, Fe, and Co)

C. Esling, J. Raulot, L. Zuo, 2012 .

A New Variant Selection Criterion for Twin Variants in Titanium Alloys (Part 2)

M. Philippe, C. Esling, J. Raulot, 2012 .

Contribution of the Nanoindentation to the Study of HCP Metals

F. Abbès, J. Raulot, C. Schuman, 2014 .

Role of the microstructure on the transport properties of Y-doped zirconia and Gd-doped ceria

G. Petot-ervas, I. Sproule, J. Raulot, 2003 .

Magnetic Properties of Off-Stoichiometric Ni-X-In (X=Mn, Fe and Co) Magnetic Shape Memory Alloys by First-Principles Calculations

C. Esling, J. Raulot, L. Zuo, 2014 .

First-Principles Investigations on Magnetic Properties in Off-Stoichiometric Ni2MnIn Magnetic Shape Memory Alloys

Yan Li, C. Esling, J. Raulot, 2013 .

Defect formation energy and magnetic properties of off-stoichiometric Ni-Mn-In alloys by first-principles calculations

C. Esling, J. Raulot, L. Zuo, 2013 .

Composition dependent phase stability of Ni-Mn-Ga alloys studied by ab initio calculations

C. Esling, Xiangying Meng, J. Raulot, 2014 .

Oscillation of the magnetic moment in modulated martensites in Ni2MnGa studied by ab initio calculations

C. Esling, J. Raulot, L. Zuo, 2012 .

Continuous Modeling of Dislocation Cores Using a Mechanical Theory of Dislocation Fields

C. Fressengeas, J. Raulot, V. Taupin, 2016 .

Building compact dislocation cores in an elasto-plastic model of dislocation fields

C. Fressengeas, J. Raulot, V. Taupin, 2016 .

Composition-dependent structural and magnetic properties of Ni–Mn–Ga alloys studied by ab initio calculations

C. Esling, J. Raulot, L. Zuo, 2015, Journal of Materials Science.