naa a22 4500 510802257 CHVBK 20180411083400.0 cr unu---uuuuu 180411e20130701xx s 000 0 eng 10.1007/s11664-012-2329-6 doi (NATIONALLICENCE)springer-10.1007/s11664-012-2329-6 AbInitio Calculations and Measurements of Thermoelectric Properties of V2O5 Films [Elektronische Daten] [Yu. Chumakov, S.-Y. Xiong, J. Santos, I. Ferreira, K. Termentzidis, A. Pokropivny, P. Cortona, S. Volz] Density functional theory and the Boltzmann transport equation were used to calculate the thermoelectric transport coefficients for bulk V2O5 and MV2O5 (M=Cr, Ti, Na, Li). The structural relaxation for the given compounds based on the ABINIT code was observed. The temperature dependences of the Seebeck coefficients as well as electrical and thermal electrical conductivities of all relaxed structures displayed anisotropic behavior. Electrooptical measurements of thermoelectric properties were carried out on V2O5 thin films obtained by thermal evaporation with different post-annealing treatments. A Seebeck coefficient of −148μV/K at T=300K was obtained in the in-plane direction for V2O5 thin films with thickness less than 100nm. TMS, 2012 V2O5 thin films nationallicence density functional theory nationallicence Boltzmann transport equation nationallicence thermoelectric properties nationallicence Chumakov Yu Laboratoire d'Energétique Moléculaire et Macroscopique, Combustion, UPR CNRS 288, Ecole Centrale Paris, 92295, Châtenay-Malabry, France aut Xiong S.-Y Laboratoire d'Energétique Moléculaire et Macroscopique, Combustion, UPR CNRS 288, Ecole Centrale Paris, 92295, Châtenay-Malabry, France aut Santos J. CENIMAT/I3N, Departamento de Ciência dos Materiais, Faculdade de Ciências e Tecnologia, FCT, Universidade Nova de Lisboa and CEMOP/UNINOVA, 2829-516, Caparica, Portugal aut Ferreira I. CENIMAT/I3N, Departamento de Ciência dos Materiais, Faculdade de Ciências e Tecnologia, FCT, Universidade Nova de Lisboa and CEMOP/UNINOVA, 2829-516, Caparica, Portugal aut Termentzidis K. Laboratoire d'E´nergétique et de Mécanique Théorique et Appliqué, UMR 7563, CNRS et Université de Lorraine, 54506, Vandoeuvre Les, Nancy, France aut Pokropivny A. Laboratoire d'Energétique Moléculaire et Macroscopique, Combustion, UPR CNRS 288, Ecole Centrale Paris, 92295, Châtenay-Malabry, France aut Cortona P. Laboratoire Structures, Propriétés et Modélisation des Solides, UMR CNRS 8580, École Centrale Paris, 92295, Châtenay-Malabry, France aut Volz S. Laboratoire d'Energétique Moléculaire et Macroscopique, Combustion, UPR CNRS 288, Ecole Centrale Paris, 92295, Châtenay-Malabry, France aut Journal of Electronic Materials Springer US; http://www.springer-ny.com 42/7(2013-07-01), 1597-1603 0361-5235 42:7<1597 2013 42 11664 https://doi.org/10.1007/s11664-012-2329-6 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s11664-012-2329-6 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Chumakov Yu Laboratoire d'Energétique Moléculaire et Macroscopique, Combustion, UPR CNRS 288, Ecole Centrale Paris, 92295, Châtenay-Malabry, France aut NATIONALLICENCE 700 1- Xiong S.-Y Laboratoire d'Energétique Moléculaire et Macroscopique, Combustion, UPR CNRS 288, Ecole Centrale Paris, 92295, Châtenay-Malabry, France aut NATIONALLICENCE 700 1- Santos J. CENIMAT/I3N, Departamento de Ciência dos Materiais, Faculdade de Ciências e Tecnologia, FCT, Universidade Nova de Lisboa and CEMOP/UNINOVA, 2829-516, Caparica, Portugal aut NATIONALLICENCE 700 1- Ferreira I. CENIMAT/I3N, Departamento de Ciência dos Materiais, Faculdade de Ciências e Tecnologia, FCT, Universidade Nova de Lisboa and CEMOP/UNINOVA, 2829-516, Caparica, Portugal aut NATIONALLICENCE 700 1- Termentzidis K. Laboratoire d'E´nergétique et de Mécanique Théorique et Appliqué, UMR 7563, CNRS et Université de Lorraine, 54506, Vandoeuvre Les, Nancy, France aut NATIONALLICENCE 700 1- Pokropivny A. Laboratoire d'Energétique Moléculaire et Macroscopique, Combustion, UPR CNRS 288, Ecole Centrale Paris, 92295, Châtenay-Malabry, France aut NATIONALLICENCE 700 1- Cortona P. Laboratoire Structures, Propriétés et Modélisation des Solides, UMR CNRS 8580, École Centrale Paris, 92295, Châtenay-Malabry, France aut NATIONALLICENCE 700 1- Volz S. Laboratoire d'Energétique Moléculaire et Macroscopique, Combustion, UPR CNRS 288, Ecole Centrale Paris, 92295, Châtenay-Malabry, France aut NATIONALLICENCE 773 0- Journal of Electronic Materials Springer US; http://www.springer-ny.com 42/7(2013-07-01), 1597-1603 0361-5235 42:7<1597 2013 42 11664 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer