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authIdHal_s : philippe-jund

Influence of the cooling-rate on the glass transition temperature and the structural properties of glassy GeS2: an ab initio molecular dynamics study

Sebastien Le Roux , Philippe Jund
Journal of Physics: Condensed Matter, 2007, 19, pp.196102. ⟨10.1088/0953-8984/19/19/196102⟩
Journal articles hal-00181403v1

Ab initio molecular dynamics study of GeS2: from the crystal to the glass

Sebastien Le Roux , Philippe Jund
Journal of Physics: Condensed Matter, 2007, 19, pp.455207. ⟨10.1088/0953-8984/19/45/455207⟩
Journal articles hal-00182291v1

A first-principles investigation of the thermodynamic and mechanical properties of Ni-Ti-Sn Heusler and half-Heusler materials

Patrick Hermet , Kinga Niedziolka , Philippe Jund
RSC Advances, 2013, 3 (44), pp.22176-22184. ⟨10.1039/C3RA43990A⟩
Journal articles hal-00871094v1

Calculated vibrational and electronic properties of various sodium thiogermanate glasses

Philippe Jund , Sebastien Blaineau
Chemical Physics, 2005, 317 (2), pp.137. ⟨10.1016/j.chemphys.2005.04.043⟩
Journal articles hal-00381600v1

Structural, electronic and elastic properties of V5Si3 phases from first-principles calculations

X. Tao , Hongmei Chen , Xiaofeng Tong , Yifang Ouyang , Philippe Jund et al.
Computational Materials Science, 2012, pp.169-174. ⟨10.1016/j.commatsci.2011.09.030⟩
Journal articles hal-00634870v1

Electronic structure of the Heusler compound Fe2VAl and its point defects by ab initio calculations

Subrahmanyam Bandaru , Philippe Jund
physica status solidi (b), 2017, 254 (2), pp.1600441. ⟨10.1002/pssb.201600441⟩
Journal articles hal-01486659v1

Interest of the differential thermal analysis on the characterization of a thermoelectric material: ZnSb

Romain Pothin , Rose-Marie Ayral , Alexandre Berche , Florence Rouessac , Philippe Jund et al.
Journal of Alloys and Compounds, 2016, 657, pp.358-365. ⟨10.1016/j.jallcom.2015.10.118⟩
Journal articles hal-01227761v1

Matrix controlled channel diffusion of sodium in amorphous silica

E. Sunyer , P. Jund , R. Jullien
Journal of Physics: Condensed Matter, 2003, 15, pp.L431-L437
Journal articles hal-00122041v1

Stability and Thermoelectric Properties of Transition-Metal Silicides

Romain Viennois , X. Tao , Philippe Jund , Jean-Claude Tedenac
Journal of Electronic Materials, 2011, 40, pp.597-600. ⟨10.1007/s11664-010-1466-z⟩
Journal articles hal-00610014v1

Erratum: Ring statistics analysis of topological networks: New approach and application to amorphous GeS2 and SiO2 systems

Sébastien Leroux , Philippe Jund
Computational Materials Science, 2011, 50 (3), pp.1217. ⟨10.1016/j.commatsci.2010.10.012⟩
Journal articles hal-00610021v1
Image document

Structural properties of various sodium thiogermanate glasses through DFT-based molecular dynamics simulations

Sebastien Blaineau , Philippe Jund
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2006, pp.054203. ⟨10.1103/PhysRevB.74.054203⟩
Journal articles hal-00583914v1

Ab initio description of the different phases in the Al-Fe-V system: Structure, magnetism and thermodynamics

Alexandre Berche , Philippe Jund
Computational Materials Science, 2018, 149, pp.28 - 36. ⟨10.1016/j.commatsci.2018.03.008⟩
Journal articles hal-01735275v1

Phase stability of nickel and zirconium stannides

Alexandre Berche , Jean-Claude Tédenac , Philippe Jund
Journal of Physics and Chemistry of Solids, 2017, 103, pp.40-48. ⟨10.1016/j.jpcs.2016.11.029⟩
Journal articles hal-01416100v1

Ab initio calculations and CALPHAD description of Cr-Ge-Mn and Cr-Ge-Si

Alexandre Berche , Jean-Claude Tedenac , Philippe Jund
Calphad, 2015, 49, pp.50-57. ⟨10.1016/j.calpahd.2015.02.004⟩
Journal articles hal-01138627v1

Enhancement of the Thermoelectric Properties of Fe2VAl with the Introduction of Porosity

S. Bandaru , O. Rapaud , F. Rouessac , P. Jund
Modern Concepts in Material Science, 2022, 5 (1), pp.603. ⟨10.33552/MCMS.2022.05.000603⟩
Journal articles hal-03878814v1

Classical molecular dynamics simulations of amorphous silica surfaces

M. Rarivomanantsoa , P. Jund , R. Jullien
Journal of Physics: Condensed Matter, 2001, 13, pp.6707-6718
Journal articles hal-00122364v1
Image document

Phase stability and physical properties of Ta5Si3 compounds from first-principles calculations

Xiaoma Tao , Philippe Jund , Catherine Colinet , Jean-Claude Tedenac
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2009, 80 (10), pp.104103. ⟨10.1103/PhysRevB.80.104103⟩
Journal articles hal-00446364v1

De l'importance des modes optiques de basse energie dans les materiaux thermoelectriques

Romain Rv Viennois , Philippe Jund , Jean-Claude Tedenac , Didier Ravot , M.M. Koza et al.
Materiaux 2010, Oct 2010, Nantes, France
Conference papers hal-00527953v1

Defect and phase stability of solid solutions of Mg2X with an antifluorite structure: An ab initio study

Romain Viennois , Philippe Jund , Catherine Colinet , Jean-Claude Tedenac
Journal of Solid State Chemistry, 2012, 193, pp.133-136. ⟨10.1016/j.jssc.2012.04.048⟩
Journal articles istex hal-00731039v1
Image document

Thermal dependence of the mechanical properties of NiTiSn using first-principles calculations and high-pressure X-ray diffraction

P. Hermet , J. Haines , D. Granier , M. Tillard , P. Jund et al.
Journal of Alloys and Compounds, 2020, 823, pp.153611. ⟨10.1016/j.jallcom.2019.153611⟩
Journal articles hal-02444588v1

Density of States Effective Mass for p-Type Mg 2 Si–Mg 2 Sn Solid Solutions: Comparison between Experiments and First-Principles Calculations

Johannes de Boor , Alexandre Berche , Philippe Jund
Journal of Physical Chemistry C, 2020, 124 (28), pp.14987-14996. ⟨10.1021/acs.jpcc.0c03105⟩
Journal articles hal-02913002v1

Phase separation in the half-Heusler thermoelectric materials (Hf,Ti,Zr)NiSn

Alexandre Berche , J.C. Tédenac , P. Jund
Scripta Materialia, 2017, 139, pp.122 - 125. ⟨10.1016/j.scriptamat.2017.06.036⟩
Journal articles hal-01552856v1

Measurement of the heat capacity of ZnSb by DSC between 300 and 673 K

Benigni P. , Georges Mikaelian , R. Pothin , Alexandre Berche , R.M. Ayral et al.
Calphad, 2016, 55, pp.238 - 242. ⟨10.1016/j.calphad.2016.09.008⟩
Journal articles hal-01788735v1

Thermodynamic study of the Ge-Mn-Si system

Alexandre Berche , Elodie Théron-Ruiz , Jean Claude Tedenac , Philippe Jund
Journal of Alloys and Compounds, 2015, 632, pp.10-16. ⟨10.1016/j.jallcom.2015.01.072⟩
Journal articles hal-01115903v1

Oxidation of half-Heusler NiTiSn materials: Implications for thermoelectric applications

Alexandre Berche , P. Jund
Intermetallics, 2018, 92, pp.62 - 71. ⟨10.1016/j.intermet.2017.09.014⟩
Journal articles hal-01608965v1

Effect of Doping on the Thermoelectric Properties of Thallium Tellurides Using First Principles Calculations

Philippe Jund , Tao Xiaoma , Romain Rv Viennois , Jean-Claude Tedenac
Solid State Phenomena, 2011, 172 - 174, pp.985-989. ⟨10.4028/www.scientific.net/SSP.172-174.985⟩
Journal articles hal-00610485v1

Physical Properties of Thallium-Tellurium Based Thermoelectric Compounds Using First-Principles Simulations

Xiaoma Tao , Philippe Jund , Romain Viennois , Jean-Claude Tedenac
Journal of Physical Chemistry A, 2011, 115, pp.8761-8766. ⟨10.1021/jp204592e⟩
Journal articles hal-00616590v1

Lattice dynamics of thermoelectric La4Sb3

Romain Viennois , M.M. Koza , Philippe Jund , Jean-Claude Tedenac
Calphad, 2011, pp.636-638. ⟨10.1016/j.calphad.2011.03.004⟩
Journal articles hal-00648614v1

Ring statistics analysis of topological networks: new approach and application to amorphous GeS2 and SiO2 systems

Sébastien Le Roux , Philippe Jund
Computational Materials Science, 2010, 49, pp.70-83. ⟨10.1016/j.commatsci.2010.04.023⟩
Journal articles hal-00505146v1
Image document

Physical properties of thermoelectric zinc antimonide using first-principles calculations

Philippe Jund , Romain Viennois , Tao Xiaoma , Kinga Niedziolka , Jean-Claude Tedenac et al.
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 85 (22), pp.224105. ⟨10.1103/PhysRevB.85.224105⟩
Journal articles hal-00705201v1