Publications

2011

• Anisotropy of the coherence length from critical currents in the stoichiometric superconductor LiFeAs
  
  • Konczykowski Marcin
  • van Der Beek Cornelis Jacominus
  • Tanatar Makariy A.
  • Mosser Vincent
  • Song Yoo Jang
  • Kwon Yong Seung
  • Prozorov Ruslan
  Physical Review B: Condensed Matter and Materials Physics (1998-2015), American Physical Society, 2011, 84, pp.180514(R). of vortex motion in the stoichiometric LiFeAs superconductor. These correspond to vortex lines along the c axis moving parallel to the ab plane, and to vortex lines in the ab plane moving perpendicular to and within the plane, respectively. The measurements were carried out in the low-field regime of strong vortex pinning, in which the critical current anisotropy is solely determined by the coherence length anisotropy parameter εξ . This allows for the extraction of εξ at magnetic fields far below the upper critical field Bc2. We find that increasing the magnetic field decreases the anisotropy of the coherence length. (10.1103/PhysRevB.84.180514)
  DOI : 10.1103/PhysRevB.84.180514
• Elaboration of Nanostructured and Highly Proton Conductive Membranes for PEMFC by Ion Track Grafting Technique.
  
  • Gallino Enrico
  • Clochard Marie-Claude
  • Berthelot Thomas
  • Balanzat Emmanuel
  • Gébel G.
  • Morin Arnaud
  , 2011. Despite some serious drawbacks (high cost, conductivity losses at high temperature, water swelling shortening the membrane durability), Nafion® is still the reference as membrane for PEMFC. In order to develop a new type of proton conductive membrane, our strategy is based on the utilization of swift heavy ions (SHI) grafting process to create nanometric cylindrical proton conductive pathways, in the thickness direction of the membrane, to enhance proton conduction from the anode to the cathode. The mechanical and dimensional stability of the proton exchange membrane was insured by the pristine PVDF matrix. In particular, a poly(vinyl di-fluoride) (PVDF) matrix was irradiated with SHI to obtain radically active latent tracks in the polymer film. Styrene was then radiografted and further sulfonated into these irradiated cylindrical regions, leading to sulfonated polystyrene (PVDF-g-PSSA) domains within PVDF. The role of the grafting degree and fluence of irradiation of the PVDF matrix on PVDF-g-PSSA membranes properties (chemical composition, ion exchange capacity, water uptake) was investigated. Then, a membrane-electrode assembly (MEA) was prepared and fuel cell tests have been performed. The cell temperature was progressively increased from 50°C to 80°C. Polarization curves and electrochemical impedance spectroscopy (EIS) at different current densities were used to evaluate the membrane-electrode assembly (MEA) performances. Our results clearly show that PVDF-g-PSSA membranes with a grafting degree of about 140% (PVDF-g-PSSA 140%), obtained after irradiation at a fluence of 1010 ions/cm2, lead to proton conductivities ranging from 30 mS/cm to 60 mS/cm depending on the operating conditions. These values are close to those of a Nafion® membrane tested in the same conditions. However, the durability of these membranes is limited to about 70 hours due to high stiffness of the membrane that weakens mechanical properties during fuel cell operation. To increase the durability, one solution was to decrease the fluence. The decrease of the fluence leads to membranes with lower grafting yield (about 45%). However, despite the lower grafting degree and the lower amount of sulfonated groups, fuel cell performances are similar to those of (PVDF-g-PSSA 140%) membrane. This result indicates that the cylindrical nanocomposite structure plays a key role in the enhancement of the proton conductivity. Moreover, the good fuel cell performances are associated to adequate mechanical properties that improve the durability of the membrane. In conclusion, our work demonstrates that SHI grafting is a powerful and low cost (about 200 US$/m2 of membrane) technique to obtain a specific and controlled nano-scale structure allowing a good trade-off between adequate mechanical stability and high proton conductivity.
• Towards a novel approach for the calculation of many-body Green's functions
  
  • Lani Giovanna
  , 2011. In this work, a novel route to the calculation of the one particle Green's function (GF) has been developed. Its aim is to remedy to the shortcomings of other many-body approaches, e.g. the GW approximation (GWa), in treating strong effects of correlation in solids. The idea consists of solving a set of non-linear, differential, functional equations, which are pivotal to many-body perturbation theory. In a first instance, a so called 1-point model is employed (only one value for each time, spin, spatial variable is retained) and the set of equations reduces to a single algebraic equation, for which an explicit exact solution is obtained. The solution is used as a benchmark tool to analyze the performances of established many-body methods (e.g. different GW flavours), moreover alternative approximations are devised and for the most promising ones the generalization to their full functional form is discussed. The last part of the work deals with the generalization of the approach beyond the 1-point framework. First the frequency dependence of the GF is restored (while still retaining the 1-point approximation for the space and spin variables) and the set of equations is solved. It is shown that in such framework it is possible to recover the so-called cumulant expansion for the GF- an approximation which is beyond GW and provides accurate spectral functions for photo emission experiments. Finally, through an ansatz, a family of solution for the equations in their full functional form is obtained and routes to approximate the physical one, far beyond the present state-of-the-art, are proposed.
• Comment on “Quantum thermal bath for molecular dynamics simulation” reply
  
  • Dammak Hichem
  • Hayoun Marc
  • Chalopin Yann
  • Greffet Jean-Jacques
  Physical Review Letters, American Physical Society, 2011, 107 (19). A Reply to the Comment by Alexandre H. Barrozo and Maurice de Koning. (10.1103/PhysRevLett.107.198902)
  DOI : 10.1103/PhysRevLett.107.198902
• Etude structurale de préformes de fibres dopées Yb : rôle des codopants Al et P
  
  • Ollier N.
  • Deschamps T.
  • Vezin H.
  • Charpentier T.
  • Gonnet C.
  , 2011.
• Valence Electron Photoemission Spectrum of Semiconductors: Ab Initio Description of Multiple Satellites
  
  • Guzzo Matteo
  • Lani Giovanna
  • Sottile Francesco
  • Romaniello Pina
  • Gatti Matteo
  • Kas Joshua J.
  • Rehr John J.
  • Silly Mathieu G.
  • Sirotti Fausto
  • Reining Lucia
  Physical Review Letters, American Physical Society, 2011, 107 (16), pp.166401. The experimental valence band photoemission spectrum of semiconductors exhibits multiple satellites that cannot be described by the GW approximation for the self-energy in the framework of many-body perturbation theory. Taking silicon as a prototypical example, we compare experimental high energy photoemission spectra with GW calculations and analyze the origin of the GW failure. We then propose an approximation to the functional differential equation that determines the exact one-body Green's function, whose solution has an exponential form. This yields a calculated spectrum, including cross sections, secondary electrons, and an estimate for extrinsic and interference effects, in excellent agreement with experiment. Our result can be recast as a dynamical vertex correction beyond GW, giving hints for further developments. (10.1103/PhysRevLett.107.166401)
  DOI : 10.1103/PhysRevLett.107.166401
• Métallisation Electroless des Polymères Induite par des Ligands
  
  • Garcia Alexandre
  , 2011. Ce projet de recherche avait pour objectif de répondre à un enjeu industriel: Développer un procédé " propre " de métallisation des polymères sans satinage à l'acide chromique (CrVI). Au cours de ce travail, un procédé alternatif s'appuyant sur une technologie innovante de revêtement de surface (la technologie Graftfast®) a été développé. Ce procédé utilisable dans l'eau et à température ambiante permet de greffer chimiquement des polymères vinyliques sur une large gamme de surfaces de natures différentes. Par cette méthode, une couche d'acide polyacrylique (PAA) a été greffée de manière covalente sur différents substrats polymériques (ABS, ABS-PC, PA, PET, PVC, PVDF...). Les propriétés chélatantes des groupes introduits dans ces films minces de polymères ont été mises à contribution pour l'immobilisation de sels métalliques. Une fois réduites au sein de cette interphase, les particules métalliques ont permis la croissance de la couche métallique par immersion dans un bain Electroless en jouant le rôle de catalyseur. Les couches métalliques résultantes ont montré des propriétés électriques et mécaniques identiques à celles obtenues par les procédés industriels actuels. Combiné à des procédés lithographiques bas coûts et innovants, des motifs métalliques localisés sur substrats flexibles et transparents (PET and PVDF) ont été réalisés à l'échelle micrométrique. Afin de répondre encore plus fortement aux contraintes environnementales et économiques actuelles, le procédé de fonctionnalisation de surface par immersion (Graftfast®) a été remplacé par un procédé par impression jet d'encre photo-assisté. Des motifs métalliques sur substrats flexibles du type papier glacé (PVC) ou transparents (PET) avec une résolution micrométrique ont aussi été réalisés. Ces structures présentent également d'excellentes propriétés électriques et mécaniques et laisse envisager une utilisation de ce procédé pour des applications dans le domaine de la microélectronique.
• Strong pinning and vortex energy distributions in single-crystalline Ba(Fe1−xCox)2As2
  
  • Demirdis Sultan
  • van Der Beek Cornelis Jacominus
  • Fasano Yanina
  • Cejas-Bolecek Nestor René
  • Pastoriza H.
  • Colson Dorothée
  • Rullier-Albenque F.
  Physical Review B: Condensed Matter and Materials Physics (1998-2015), American Physical Society, 2011, 84, pp.094517. The interrelation between heterogeneity and flux pinning is studied in Ba(Fe1−xCox)2As2 single crystals with widely varying Co content x. Magnetic Bitter decoration of the superconducting vortex ensemble in crystals with x=0.075 and x=0.1 reveals highly disordered vortex structures. The width of the Meissner belt observed at the edges of the crystals, and above the surface steps formed by cleaving, as well as the width of the intervortex distance distribution, indicate that the observed vortex ensemble is established at a temperature just below the critical temperature Tc. The vortex interaction energy and pinning force distributions extracted from the images strongly suggest that the vortex lattice disorder is attributable to strong pinning due to spatial fluctuations of Tc and of the superfluid density. Correlating the results with the critical current density yields a typical length scale of the relevant disorder of 40-60 nm. (10.1103/PhysRevB.84.094517)
  DOI : 10.1103/PhysRevB.84.094517
• Study of the structural part on the alteration behavior of rare earth aluminosilicate glasses for nuclear waste storage
  
  • Pellerin N.
  • Omnée R.
  • Allix M.
  • Simon P.
  • Corbel C.
  • Jégou C.
  • Montouillout V.
  • Massiot D.
  , 2011.
• Cr3+ optical properties of Brazilian beryl and chrysoberyl (alexandrite and emerald)
  
  • Ollier N.
  • Fuchs Y.
  • Rossano Stéphanie
  • Bordage A.
  • M. Leal J.
  • H. Horn A.
  , 2011, pp.1.
• Influence of liquid lead and lead-bismuth eutectic on tensile, fatigue and creep properties of ferritic/martensitic and austenitic steels for transmutation systems
  
  • Gorse D.
  • Auger T.
  • Vogt J.-B.
  • Serre I.
  • Weisenburger A.
  • Gessi A.
  • Agostini P.
  • Fazio C.
  • Hojna A.
  • Di Gabriele F.
  • van den Bosch J.
  • Coen G.
  • Almouzi A.
  • Serrano M.
  Journal of Nuclear Materials, Elsevier, 2011, 415 (3), pp.284-292. (10.1016/j.jnucmat.2011.04.047)
  DOI : 10.1016/j.jnucmat.2011.04.047
• Fracture mechanics behavior of the T91 martensitic steel in contact with liquid lead-bismuth eutectic for application in an accelerator driven system
  
  • Auger T.
  • Gorse D.
  • Hamouche-Hadjem Z.
  • van den Bosch J.
  • Coen G.
  • Almouzi A.
  • Hojna A.
  • Dalikova K.
  • Di Gabriele F.
  • Serrano M.
  • Gessi A.
  • Agostini P.
  • Vogt J.B.
  • Serre I.
  Journal of Nuclear Materials, Elsevier, 2011, 415 (3), pp.293-301. (10.1016/j.jnucmat.2011.04.021)
  DOI : 10.1016/j.jnucmat.2011.04.021
• Vortex pinning : a probe for nanoscale disorder in iron-based superconductors
  
  • van Der Beek Cornelis Jacominus
  • Demirdis Sultan
  • Konczykowski Marcin
  • Fasano Yanina
  • Cejas-Bolecek Nestor René
  • Pastoriza H.
  • Colson Dorothée
  • Rullier-Albenque F.
  , 2011, pp.00000. The pinning of quantized flux lines, or vortices, in the mixed state is used to quantify the effect of impurities in iron-based superconductors (IBS). Disorder at two length scales is relevant in these materials. Strong flux pinning resulting from nm-scale heterogeneity of the superconducting properties leads to the very disordered vortex ensembles observed in the IBS, and to the pronounced maximum in the critical current density jc at low magnetic fields. Disorder at the atomic scale, most likely induced by the dopant atoms, leads to "weak collective pinning" and a magnetic field-independent contribution jcoll. The latter allows one to estimate quasi-particle scattering rates. (10.1016/j.physb.2012.01.021)
  DOI : 10.1016/j.physb.2012.01.021
• Mechanical properties of icosahedral boron carbide explained from first principles
  
  • Raucoules R.
  • Vast Nathalie
  • Betranhandy Emmanuel
  • Sjakste Jelena
  Physical Review B: Condensed Matter and Materials Physics (1998-2015), American Physical Society, 2011, 84, pp.014112. An exhaustive study of the neutral structural defects of icosahedral B4C has been performed with the density functional theory. Vacancies have been determined to be boron vacancies in the C-B-C chains. Their presence is shown to yield a discontinuous variation of crystal volume upon increasing pressure, when the formation of a C-C bond occurs in the chains. The dynamical failure of shocked B4C is attributed to the formation of these C-C bonds. (10.1103/PhysRevB.84.014112)
  DOI : 10.1103/PhysRevB.84.014112
• Microstructural investigation of extrudable reactive powder concrete
  
  • de Noirfontaine Marie-Noëlle
  • Courtial Mireille
  • Dunstetter Frederic
  • Signes-Frehel M.
  • Cherkaoui Khalid
  • Mounanga Pierre
  • Khelidj Abdelhafid
  , 2011, pp.1-7. Reactive Powder Concrete (RPC) is well known for having ultra-high mechanical performances and a very good durability. The goal of our study is to find an extrudable RPC for concrete pipes manufacturing. Five RPC concrete mixtures (W/C = 0.16) were synthesized with variable amounts of polycarboxylate superplasticizer, silica fume and crushed quartz. The first three compositions do not contain any crushed quartz and vary only by their increasing amount of superplasticizer. In the last two compositions, crushed quartz replaces a part of silica fume. Four of the formulations are extrudable. In this paper, we discuss the microstructure of the five samples before extrusion. A systematic study by scanning electron microscopy has been performed on polished sections and fractures. As expected for RPC, all the samples show a high amount of residual anhydrous clinker. The three compositions without crushed quartz are rather similar, whereas two effects of the addition of superplasticizer and quartz on hydration are observed for the two last compositions.
• Ab initio calculation of electron-phonon scattering time in germanium
  
  • Tyuterev V.
  • Obukhov S.
  • Vast N.
  • Sjakste J.
  Physical Review B: Condensed Matter and Materials Physics (1998-2015), American Physical Society, 2011, 84 (3). (10.1103/PhysRevB.84.035201)
  DOI : 10.1103/PhysRevB.84.035201
• Fibres lasers dopees ytterbium : une etude structurale
  
  • Deschamps T.
  • Ollier N.
  • Charpentier T.
  • Vezin H.
  • Gonnet C.
  , 2011.
• Ti3+ production under ionizing radiation in aluminoborosilicate glasses studied by EPR spectroscopy
  
  • Lombard Pierre
  • Ollier N.
  • Boizot Bruno
  Journal of Non-Crystalline Solids, Elsevier, 2011, 357 (14), pp.2719-2722. Reduction processes under irradiation of Ti4+ ions in aluminoborosilicate glasses have been studied by EPR spectroscopy at 20 K. Different parameters like the [Na]/[Ti] ratio and the integrated dose were analyzed in this work. Simulation of the Ti3+ ion EPR spectra has shown three different Ti3+ environment attributed to one Ti-[VI](3+) and two Ti-[V](3+) environment (square pyramid and trigonal bi-pyramid). The Ti-[VI](3+) ion environment is observed only for higher [Na]/[Ti] ratios although the two others are observed for all values of the [Na]/[Ti] ratio considered. (C) 2011 Elsevier B.V. All rights reserved. (10.1016/j.jnoncrysol.2010.12.070)
  DOI : 10.1016/j.jnoncrysol.2010.12.070
• A review of some elements in the history of grain boundaries, centered on Georges Friedel, the coincident 'site' lattice and the twin index
  
  • Hardouin Duparc Olivier
  Journal of Materials Science, Springer Verlag, 2011, 42 (12), pp.4116-4134. I trace the origin of the inverse density of coincident lattice sites to Georges Friedel in 1904 (A parts per thousand tudes sur les groupements cristallins). Georges Friedel (1865-1933), son of the Chemist and Mineralogist Charles Friedel, called this parameter the twin (macle) index and defined it as the ratio of the total number of nodes of the primitive lattice to the number of coincident nodes restored by the twin operation. Friedel's 1904 'multiple lattice' is our Coincident Site Lattice. Georges Friedel introduced the I pound symbol in 1920 (Contribution A l'A (c) tude g,om,trique des macles) as the ratio of the volume of a (not necessarily primitive) multiple cell to the volume of the primitive cell. G. Friedel provides his reader with several formulae which, in the cubic case, give I pound = h (2) + k (2) + l (2) (h, k and l being the indices of the twin plane) and a twin index I equal to I pound if I pound is odd, equal to I pound/2 if I pound is even. All these definitions and formulae are included in the 1926 version of his celebrated textbook 'Le double dagger ons de Cristallographie'. Georges Friedel was also concerned with the 'material lattice' (the crystal structure) behind the mathematical lattice, but besides his contributions to the study of liquid crystals, Georges Friedel was mainly interested in Mineralogy and not in Metallurgy. This may explain why Walter Rosenhain apparently never knew of Friedel's work and why Kronberg and Wilson had to re-discover the importance of the density of coincidence sites, at the atomistic level, in 1949 in copper. Georges Friedel's grandson, Jacques Friedel, made the first numerical estimate of interface energies using interatomic potentials that same year but only published these results in 1953. Knowledge of these past events may help us to better understand the present theories and, hopefully, to develop our future understanding more efficiently. (10.1007/s10853-011-5367-1)
  DOI : 10.1007/s10853-011-5367-1
• SYNTHÈSE ET MAÎTRISE DE LA CROISSANCE DE NANOCRISTAUX : APPLICATIONS AUX COMPOSANTS A BASE DE SEMI-CONDUCTEURS A GRANDE BANDE INTERDITE
  
  • Sandana Eric Vinod
  , 2011. Ce travail a pour objectif la maitrise de la croissance et l'analyse des propriétés des nanostructures d'oxyde de zinc (ZnO). Trois procédés de fabrication de nanostructures de ZnO ont été étudiés : dépôt chimique en phase vapeur de composés organométalliques (MOCVD), dépôt par ablation laser (PLD) et dépôt par transport physique en phase vapeur (PVT). Les substrats utilisés pour cette étude sont : saphir, silicium, ZnO massif, acier austénitique, mylar et papier. Les nanostructures ont été caractérisées par différentes techniques, notamment la microscopie électronique à balayage, la photoluminescence, la cathodoluminescence, la diffraction de rayon X et des mesures de réflectivité. Une grande variété de formes de structures a été obtenue par les trois procédés de croissance : nanofiles, nanocolonnes, nanocônes, nanopeignes. Mais par PLD on obtient des réseaux de nanocolonnes et nanocônes autoformées, alignées, verticales, homogènes dont les qualités structurales sont excellentes y compris sur des substrats avec lesquels ZnO n'a pas un bon accord paramétrique. Ces nanostructures sont obtenues sans utiliser de catalyseur. Leurs propriétés d'émission sont aussi excellentes avec des bandes de défauts, observables en PL, relativement faibles. La faisabilité de composants à base de nano ZnO a été démontrée grâce à la réalisation d'une nanoLED de type n-nanoZnO/ p-Si, mais aussi par la reprise de croissance de GaN sur des nanocônes de ZnO/Si qui agissent comme une couche antireflet (~95% d'absorption de la lumière visible). L'étude a aussi porté sur la fabrication d'un composant transistor couche mince dont les caractéristiques de transfert rectifiante ont été obtenues.
• Photoactivated surface grafting from PVDF surfaces
  
  • Berthelot Thomas
  • Le Xuan Tuan
  • Jégou Pascale
  • Viel Pascal
  • Boizot Bruno
  • Baudin Cécile
  • Palacin Serge
  Applied Surface Science, Elsevier, 2011, 257, pp.9473. Economic and easy methods to tune surface properties of polymers as Poly(vinylidene fluoride) (PVDF) without altering bulk properties are of major interest for different applications as biotechnological devices, medical implant device. . . UV irradiation appears as one of the simplest, easy and safe method to modify surface properties. In the case of self-initiated grafting, it is generally assumed that the pretreatment of the PVDF surface with UV irradiation can yield alkyl and per-oxy radicals originating from breaking bonds and capable of initiating the subsequent surface grafting polymerizations. Surprisingly, the present work shows that it is possible to obtain polymer grafting using low energetic UV-A irradiation (3.1-3.9 eV) without breaking PVDF bonds. An EPR study has been performed in order to investigate the nature of involved species. The ability of the activated PVDF surface to graft different kinds of hydrophilic monomers using the initiated surface polymerization method has been tested and discussed on the basis of ATR FT-IR, XPS and NMR HRMAS results. (10.1016/j.apsusc.2011.06.039)
  DOI : 10.1016/j.apsusc.2011.06.039
• Solution, Solid State, and Film Properties of a Structurally Characterized Highly Luminescent Molecular Europium Plastic Material Excitable with Visible Light
  
  • Zucchi Gael
  • Murugesan Vajjiravel
  • Tondelier Denis
  • Aldakov Dmitry
  • Jeon Taewoo
  • Yang Feng
  • Thuéry Pierre
  • Ephritikhine M.
  • Geffroy Bernard
  Inorganic Chemistry, American Chemical Society, 2011, 50 (11), pp.4851-4856. The synthesis and X-ray crystal structure of the ligand L (4,7-dicarbazol-9-yl-[1,10]-phenanthroline) are reported, as well as those of the molecular complex, [Eu(tta)3(L)] (1), (tta = 2-thenoyl trifluoroacetylacetonate). Their photophysical properties have been investigated both in solution and in the solid state. It was shown that the ligands used for designing 1 are well-suited for sensitizing the EuIII ion emission, thanks to a favorable position of the triplet state as investigated in the GdIII complex [Gd(tta)3(L)], (2). The low local symmetry of the EuIII ion shown by the X-ray crystal structure of 1 is also revealed by luminescence spectroscopy. Because of interesting volatility and solubility properties, 1 is shown to behave as a real molecular material that can be processed both by thermal evaporation and from solution. When doped in poly(methylmethacrylate) (PMMA), 1 forms air-stable and highly red-emitting plastic materials that can be excited in a wide range of wavelengths from the UV to the visible part of the electromagnetic spectrum (250-560 nm). Absolute quantum yields of 80% have been obtained for films comprising 1-3% of 1. Ellipsometry measurements have been introduced to gain information on physical data of 1. They have been performed on thin films of 1 deposited by thermal evaporation and gave access to the refractive index, n, and the absorption coefficient, k, as a function of the wavelength. A value of 1.70 has been found for n at 633 nm. These thin films also show interesting air-stability. (10.1021/ic2000415)
  DOI : 10.1021/ic2000415
• Rare Earth Fluoride Nanoparticles Obtained Using Charge Transfer Complexes: A Versatile and Efficient Route toward Colloidal Suspensions and Monolithic Transparent Xerogels
  
  • Chaput Frédéric
  • Lerouge Frédéric
  • Tusseau-Nenez Sandrine
  • Coulon Pierre-Eugène
  • Dujardin Christophe
  • Denis-Quanquin Sandrine
  • Mpambani Francis
  • Parola Stephane
  Langmuir, American Chemical Society, 2011, 27 (9), pp.5555-5561. Crystalline rare earth fluoride nanoparticles were synthesized by reacting rare earth ions with charge-transfer complexes, in solution, under mild conditions. An infrared study showed that these intermediate complexes are made up of solvent molecules (amide: N,N-dimethylformamide, 1-methyl-2-pyrrolidinone, etc.) and fluoride ions coming from hydrofluoric acid. The size and shape of the particles can be controlled through the process parameters. The complete study of the particles obtained through this process is carried out in this document, especially for the YbF3 system. However, the process can easily be extended to the whole series of rare earth elements. We also show the ability of these objects to be transferred from an aqueous medium to an organic phase thanks to their surface modification. Finally, transparent monolithic xerogels of rare earth fluoride have been developed starting from the prepared colloidal solutions. (10.1021/la105070p)
  DOI : 10.1021/la105070p
• Yb³⁺ doped SiO2-Al2O3-P2O5 fiber performs: the role of Al and P on clusters dissolution
  
  • Deschamps T.
  • Ollier N.
  • Charpentier T.
  • Vezin H.
  • Gonnet C.
  , 2011.
• Thermoelectric transport properties of silicon: Toward an ab initio approach
  
  • Wang Zhao
  • Wang Shidong
  • Obukhov Sergey
  • Vast Nathalie
  • Sjakste Jelena
  • Tyuterev Valery
  • Mingo Natalio
  Physical Review B, American Physical Society, 2011, 83 (20). We have combined the Boltzmann transport equation with an ab initio approach to compute the thermoelectric coefficients of semiconductors. Electron-phonon, ionized impurity, and electron-plasmon scattering mechanisms have been taken into account. The electronic band structure and average intervalley deformation potentials for the electron-phonon coupling were obtained from the density functional theory. The linearized Boltzmann equation has then been solved numerically beyond the relaxation-time approximation. Our approach has been applied to crystalline silicon. We present results for the mobility, Seebeck coefficient, and electronic contribution to thermal conductivity as functions of the carrier concentration and temperature. The calculated coefficients are in good quantitative agreement with experimental results. (10.1103/PhysRevB.83.205208)
  DOI : 10.1103/PhysRevB.83.205208