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		Screening of transition (Y, Zr, Hf, V, Nb, Mo, and Ru) and rare-earth (La and Pr) elements as potential effective dopants for thermoelectric GeTe – an experimental and theoretical appraisal Bhuvanesh Srinivasan , Sylvain Le Tonquesse , Alain Gellé , Cédric Bourgès , Leo Monier , et al. Journal of Materials Chemistry A, 2020, 8 (38), pp.19805-19821. ⟨10.1039/d0ta06710e⟩ Article dans une revue hal-02991418v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Time-resolved X-ray diffraction in laser excited bismuth from first principles Brice Arnaud , Alain Gellé , Yvelin Giret 6th ABINIT Developer Workshop, Apr 2013, Dinard, France Communication dans un congrès hal-00877017v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Accurate evaluation of magnetic coupling between atoms with numerous open-shells : an ab-initio method Alain Gellé , Julien Varignon , Marie-Bernadette Lepetit EPL - Europhysics Letters, 2009, 88 (3), pp.37003 Article dans une revue hal-00379189v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		An ab initio study of magneto-electric coupling of YMnO3 J. Varignon , S. Petit , A. Gellé , M. B. Lepetit Journal of Physics: Condensed Matter, 2013, 25 (49), pp.496004. ⟨10.1088/0953-8984/25/49/496004⟩ Article dans une revue hal-01073226v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Generation of coherent phonons in photoexcited bismuth Brice Arnaud , Alain Gellé , Yvelin Giret Journées Matière Condensée 2012, Aug 2012, Montpellier, France Communication dans un congrès hal-01136152v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Coherent phonon dynamics in laser excited bismuth from first principles Brice Arnaud , Alain Gellé Workshop CECAM:'System far from equilibrium: from solid states physics to warm dense matter', Jun 2014, Paris, France Communication dans un congrès hal-01135973v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		High Water Flux with Ions Sieving in a Desalination 2D Sub-Nanoporous Boron Nitride Material X. Davoy , A. Gellé , Jean-Christophe Le Breton , Hervé Tabuteau , A. Soldera , et al. ACS Omega, 2018, 3 (6), pp.6305-6310. ⟨10.1021/acsomega.8b01076⟩ Article dans une revue hal-01834890v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Fast calculation of the electrostatic potential in ionic crystals by direct summation method Alain Gellé , Marie-Bernadette Lepetit Journal of Chemical Physics, 2008, 128, pp.244716. ⟨10.1063/1.2931458⟩ Article dans une revue hal-00188762v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The role of dynamical polarization of the ligand to metal charge transfer excitations in ab initio determination of effective exchange parameters Alain Gellé , Marketa L. Munzarová , Marie-Bernadette Lepetit , Francesc Illas Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2003, 68, pp.125103 Article dans une revue hal-00003048v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Possible Mechanism for Hole Conductivity in Cu–As–Te Thermoelectric Glasses: A XANES and EXAFS Study Bhuvanesh Srinivasan , Shuo Cui , Carmelo Prestipino , Alain Gellé , Catherine Boussard-Plédel , et al. Journal of Physical Chemistry C, 2017, 121 (26), pp.14045-14050. ⟨10.1021/acs.jpcc.7b04555⟩ Article dans une revue hal-01613090v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Realizing a stable high thermoelectric zT ∼ 2 over a broad temperature range in Ge 1−x−y Ga x Sb y Te via band engineering and hybrid flash-SPS processing Bhuvanesh Srinivasan , Alain Gellé , Francesco Gucci , Catherine Boussard-Plédel , Bruno Fontaine , et al. Inorganic Chemistry Frontiers, 2019, 6 (1), pp.63-73. ⟨10.1039/C8QI00703A⟩ Article dans une revue hal-01952889v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Influence of the incommensurability in $Sr_{14-x}Ca_xCu_{24}O_{41}$ family compounds Alain Gellé , Marie-Bernadette Lepetit Physical Review Letters, 2004, 92, pp.236402 Article dans une revue hal-00003046v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Effective valence-bond theory for strongly correlated systems Marie-Bernadette Lepetit , Alain Gellé Computational and Theoretical Chemistry, 2017, Understanding Chemistry and Biochemistry Using Computational Valence Bond Theory, 1116, pp.59-63. ⟨10.1016/j.comptc.2017.01.006⟩ Article dans une revue hal-01580452v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		De la dynamique adiabatique d'un piston aux mécanismes de génération de phonons cohérents dans le bismuth photoexcité Brice Arnaud , Y. Giret , Alain Gellé GDR CoDFT, Jun 2011, Obernai, France Communication dans un congrès hal-01136146v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Entropy Driven Atomic Motion in Laser-Excited Bismuth Y. Giret , Alain Gellé , Brice Arnaud Physical Review Letters, 2011, 106 (15), pp.155503. ⟨10.1103/PHYSREVLETT.106.155503⟩ Article dans une revue hal-00711987v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Influence of the structural modulations and the Chain-ladder interaction in the $Sr_{14-x}Ca_{x}Cu_{24}O_{41}$ compounds. Alain Gellé , Marie-Bernadette Lepetit Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2006, 74, pp.235115 Article dans une revue hal-00003226v4	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Detrimental Effects of Doping Al and Ba on the Thermoelectric Performance of GeTe Bhuvanesh Srinivasan , Alain Gellé , Jean-François Halet , Catherine Boussard-Plédel , Bruno Bureau Materials, 2018, 11 (11), pp.2237. ⟨10.3390/ma11112237⟩ Article dans une revue hal-01926269v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		$Sr_{14}Cu_{24}O_{41}$: a complete model for the chain sub-system Alain Gellé , Marie-Bernadette Lepetit The European Physical Journal B: Condensed Matter and Complex Systems, 2005, 46, pp.489 Article dans une revue hal-00003024v3	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Charge order in the incommensurate compounds $Sr_{14-x}Ca_xCu_{24}O_{41}$ Marie-Bernadette Lepetit , Alain Gellé Physica B: Condensed Matter, 2005, 359-361, pp.1258 Article dans une revue hal-00004149v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electronic structure of the $Sr_{0.4}Ca_{13.6}Cu_{24}O_{41}$ incommensurate compound Alain Gellé , Marie-Bernadette Lepetit The European Physical Journal B: Condensed Matter and Complex Systems, 2005, 43, pp.29 Article dans une revue hal-00003025v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Environment effects on effective magnetic exchange integrals and local spectroscopy of extended strongly correlated systems Marie-Bernadette Lepetit , Nicolas Suaud , Alain Gellé , Vincent Robert Journal of Chemical Physics, 2003, 118, pp.3966-73. ⟨10.1063/1.1540620⟩ Article dans une revue hal-00003047v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Entropy Driven Atomic Motion in Laser-Excited Bismuth Brice Arnaud , Alain Gellé , Y. Giret ICAMM 2012, Jun 2012, Nantes, France Communication dans un congrès hal-00936029v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Quelques aspects du role des assolements et des pratiques culturales sur les fluctuations de populations de pucerons des cereales en region oceaniques. C.A. Dedryver , J.P. Di Pietro , A. Gellé , J.S. Pierre , T. Sandré Les rotations cerealieres intensives. Dix annees d'etudes concertees INRA-ONIC-ITCF : 1973-1983., INRA, 1986 Chapitre d'ouvrage hal-02854230v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Enhanced thermoelectric performance through crystal field engineering in transition metal–doped GeTe Jing Shuai , Xiaojian Tan , Quansheng Guo , Jingtao Xu , A. Gellé , et al. Materials Today Physics, 2019, 9, pp.100094. ⟨10.1016/j.mtphys.2019.100094⟩ Article dans une revue hal-02181617v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A 2D quantum antiferromagnet with a four-fold degenerate valence-bond-solid ground state Alain Gellé , Andreas Läuchli , Brijesh Kumar , Frédéric Mila 2007 Pré-publication, Document de travail hal-00141909v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Étude ab initio de la structure électronique des composés d'oxyde de cuivre incommensurables Sr(14-x)Ca(x)Cu(24)O(41). Alain Gellé Matière Condensée [cond-mat]. Université Paul Sabatier - Toulouse III, 2004. Français. ⟨NNT : ⟩ Thèse tel-00124312v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Screening of transition (Y, Zr, Hf, V, Nb, Mo, and Ru) and rare-earth (La and Pr) elements as potential effective dopants for thermoelectric GeTe – an experimental and theoretical appraisal

Bhuvanesh Srinivasan , Sylvain Le Tonquesse , Alain Gellé , Cédric Bourgès , Leo Monier , et al.

Journal of Materials Chemistry A, 2020, 8 (38), pp.19805-19821. ⟨10.1039/d0ta06710e⟩

Article dans une revue hal-02991418v1

Time-resolved X-ray diffraction in laser excited bismuth from first principles

Brice Arnaud , Alain Gellé , Yvelin Giret

6th ABINIT Developer Workshop, Apr 2013, Dinard, France

Communication dans un congrès hal-00877017v1

Accurate evaluation of magnetic coupling between atoms with numerous open-shells : an ab-initio method

Alain Gellé , Julien Varignon , Marie-Bernadette Lepetit

EPL - Europhysics Letters, 2009, 88 (3), pp.37003

Article dans une revue hal-00379189v2

An ab initio study of magneto-electric coupling of YMnO3

J. Varignon , S. Petit , A. Gellé , M. B. Lepetit

Journal of Physics: Condensed Matter, 2013, 25 (49), pp.496004. ⟨10.1088/0953-8984/25/49/496004⟩

Article dans une revue hal-01073226v1

Generation of coherent phonons in photoexcited bismuth

Brice Arnaud , Alain Gellé , Yvelin Giret

Journées Matière Condensée 2012, Aug 2012, Montpellier, France

Communication dans un congrès hal-01136152v1

Coherent phonon dynamics in laser excited bismuth from first principles

Brice Arnaud , Alain Gellé

Workshop CECAM:'System far from equilibrium: from solid states physics to warm dense matter', Jun 2014, Paris, France

Communication dans un congrès hal-01135973v1

High Water Flux with Ions Sieving in a Desalination 2D Sub-Nanoporous Boron Nitride Material

X. Davoy , A. Gellé , Jean-Christophe Le Breton , Hervé Tabuteau , A. Soldera , et al.

ACS Omega, 2018, 3 (6), pp.6305-6310. ⟨10.1021/acsomega.8b01076⟩

Article dans une revue hal-01834890v1

Fast calculation of the electrostatic potential in ionic crystals by direct summation method

Alain Gellé , Marie-Bernadette Lepetit

Journal of Chemical Physics, 2008, 128, pp.244716. ⟨10.1063/1.2931458⟩

Article dans une revue hal-00188762v2

The role of dynamical polarization of the ligand to metal charge transfer excitations in ab initio determination of effective exchange parameters

Alain Gellé , Marketa L. Munzarová , Marie-Bernadette Lepetit , Francesc Illas

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2003, 68, pp.125103

Article dans une revue hal-00003048v1

Possible Mechanism for Hole Conductivity in Cu–As–Te Thermoelectric Glasses: A XANES and EXAFS Study

Bhuvanesh Srinivasan , Shuo Cui , Carmelo Prestipino , Alain Gellé , Catherine Boussard-Plédel , et al.

Journal of Physical Chemistry C, 2017, 121 (26), pp.14045-14050. ⟨10.1021/acs.jpcc.7b04555⟩

Article dans une revue hal-01613090v1

Realizing a stable high thermoelectric zT ∼ 2 over a broad temperature range in Ge 1−x−y Ga x Sb y Te via band engineering and hybrid flash-SPS processing

Bhuvanesh Srinivasan , Alain Gellé , Francesco Gucci , Catherine Boussard-Plédel , Bruno Fontaine , et al.

Inorganic Chemistry Frontiers, 2019, 6 (1), pp.63-73. ⟨10.1039/C8QI00703A⟩

Article dans une revue hal-01952889v1

Influence of the incommensurability in $Sr_{14-x}Ca_xCu_{24}O_{41}$ family compounds

Alain Gellé , Marie-Bernadette Lepetit

Physical Review Letters, 2004, 92, pp.236402

Article dans une revue hal-00003046v1

Effective valence-bond theory for strongly correlated systems

Marie-Bernadette Lepetit , Alain Gellé

Computational and Theoretical Chemistry, 2017, Understanding Chemistry and Biochemistry Using Computational Valence Bond Theory, 1116, pp.59-63. ⟨10.1016/j.comptc.2017.01.006⟩

Article dans une revue hal-01580452v1

De la dynamique adiabatique d'un piston aux mécanismes de génération de phonons cohérents dans le bismuth photoexcité

Brice Arnaud , Y. Giret , Alain Gellé

GDR CoDFT, Jun 2011, Obernai, France

Communication dans un congrès hal-01136146v1

Entropy Driven Atomic Motion in Laser-Excited Bismuth

Y. Giret , Alain Gellé , Brice Arnaud

Physical Review Letters, 2011, 106 (15), pp.155503. ⟨10.1103/PHYSREVLETT.106.155503⟩

Article dans une revue hal-00711987v1

Influence of the structural modulations and the Chain-ladder interaction in the $Sr_{14-x}Ca_{x}Cu_{24}O_{41}$ compounds.

Alain Gellé , Marie-Bernadette Lepetit

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2006, 74, pp.235115

Article dans une revue hal-00003226v4

Detrimental Effects of Doping Al and Ba on the Thermoelectric Performance of GeTe

Bhuvanesh Srinivasan , Alain Gellé , Jean-François Halet , Catherine Boussard-Plédel , Bruno Bureau

Materials, 2018, 11 (11), pp.2237. ⟨10.3390/ma11112237⟩

Article dans une revue hal-01926269v1

$Sr_{14}Cu_{24}O_{41}$: a complete model for the chain sub-system

Alain Gellé , Marie-Bernadette Lepetit

The European Physical Journal B: Condensed Matter and Complex Systems, 2005, 46, pp.489

Article dans une revue hal-00003024v3

Charge order in the incommensurate compounds $Sr_{14-x}Ca_xCu_{24}O_{41}$

Marie-Bernadette Lepetit , Alain Gellé

Physica B: Condensed Matter, 2005, 359-361, pp.1258

Article dans une revue hal-00004149v1

Electronic structure of the $Sr_{0.4}Ca_{13.6}Cu_{24}O_{41}$ incommensurate compound

Alain Gellé , Marie-Bernadette Lepetit

The European Physical Journal B: Condensed Matter and Complex Systems, 2005, 43, pp.29

Article dans une revue hal-00003025v2

Environment effects on effective magnetic exchange integrals and local spectroscopy of extended strongly correlated systems

Marie-Bernadette Lepetit , Nicolas Suaud , Alain Gellé , Vincent Robert

Journal of Chemical Physics, 2003, 118, pp.3966-73. ⟨10.1063/1.1540620⟩

Article dans une revue hal-00003047v1

Entropy Driven Atomic Motion in Laser-Excited Bismuth

Brice Arnaud , Alain Gellé , Y. Giret

ICAMM 2012, Jun 2012, Nantes, France

Communication dans un congrès hal-00936029v1

Quelques aspects du role des assolements et des pratiques culturales sur les fluctuations de populations de pucerons des cereales en region oceaniques.

C.A. Dedryver , J.P. Di Pietro , A. Gellé , J.S. Pierre , T. Sandré

Les rotations cerealieres intensives. Dix annees d'etudes concertees INRA-ONIC-ITCF : 1973-1983., INRA, 1986

Chapitre d'ouvrage hal-02854230v1

Enhanced thermoelectric performance through crystal field engineering in transition metal–doped GeTe

Jing Shuai , Xiaojian Tan , Quansheng Guo , Jingtao Xu , A. Gellé , et al.

Materials Today Physics, 2019, 9, pp.100094. ⟨10.1016/j.mtphys.2019.100094⟩

Article dans une revue hal-02181617v1

A 2D quantum antiferromagnet with a four-fold degenerate valence-bond-solid ground state

Alain Gellé , Andreas Läuchli , Brijesh Kumar , Frédéric Mila

2007

Pré-publication, Document de travail hal-00141909v1

Étude ab initio de la structure électronique des composés d'oxyde de cuivre incommensurables Sr(14-x)Ca(x)Cu(24)O(41).

Alain Gellé

Matière Condensée [cond-mat]. Université Paul Sabatier - Toulouse III, 2004. Français. ⟨NNT : ⟩

Thèse tel-00124312v1

Filtrer vos résultats

Screening of transition (Y, Zr, Hf, V, Nb, Mo, and Ru) and rare-earth (La and Pr) elements as potential effective dopants for thermoelectric GeTe – an experimental and theoretical appraisal

Time-resolved X-ray diffraction in laser excited bismuth from first principles

Accurate evaluation of magnetic coupling between atoms with numerous open-shells : an ab-initio method

An ab initio study of magneto-electric coupling of YMnO3

Generation of coherent phonons in photoexcited bismuth

Coherent phonon dynamics in laser excited bismuth from first principles

High Water Flux with Ions Sieving in a Desalination 2D Sub-Nanoporous Boron Nitride Material

Fast calculation of the electrostatic potential in ionic crystals by direct summation method

The role of dynamical polarization of the ligand to metal charge transfer excitations in ab initio determination of effective exchange parameters

Possible Mechanism for Hole Conductivity in Cu–As–Te Thermoelectric Glasses: A XANES and EXAFS Study

Realizing a stable high thermoelectric zT ∼ 2 over a broad temperature range in Ge 1−x−y Ga x Sb y Te via band engineering and hybrid flash-SPS processing

Influence of the incommensurability in $Sr_{14-x}Ca_xCu_{24}O_{41}$ family compounds

Effective valence-bond theory for strongly correlated systems

De la dynamique adiabatique d'un piston aux mécanismes de génération de phonons cohérents dans le bismuth photoexcité

Entropy Driven Atomic Motion in Laser-Excited Bismuth

Influence of the structural modulations and the Chain-ladder interaction in the $Sr_{14-x}Ca_{x}Cu_{24}O_{41}$ compounds.

Detrimental Effects of Doping Al and Ba on the Thermoelectric Performance of GeTe

$Sr_{14}Cu_{24}O_{41}$: a complete model for the chain sub-system

Charge order in the incommensurate compounds $Sr_{14-x}Ca_xCu_{24}O_{41}$

Electronic structure of the $Sr_{0.4}Ca_{13.6}Cu_{24}O_{41}$ incommensurate compound

Environment effects on effective magnetic exchange integrals and local spectroscopy of extended strongly correlated systems

Entropy Driven Atomic Motion in Laser-Excited Bismuth

Quelques aspects du role des assolements et des pratiques culturales sur les fluctuations de populations de pucerons des cereales en region oceaniques.

Enhanced thermoelectric performance through crystal field engineering in transition metal–doped GeTe

A 2D quantum antiferromagnet with a four-fold degenerate valence-bond-solid ground state

Étude ab initio de la structure électronique des composés d'oxyde de cuivre incommensurables Sr(14-x)Ca(x)Cu(24)O(41).