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Ab Initio Calculations and Measurements of Thermoelectric Properties of V2O5 Films |
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| Authors: | Yu Chumakov S-Y Xiong J R Santos I Ferreira K Termentzidis A Pokropivny P Cortona S Volz |
| Affiliation: | 1. Laboratoire d’Energétique Moléculaire et Macroscopique, Combustion, UPR CNRS 288, Ecole Centrale Paris, Chatenay-Malabry, 92295, France 5. Institute of Applied Physics of the Academy of Sciences of Moldova, Academiei str. 5, Chisinau, MD, 2028, Moldova 2. CENIMAT/I3N, Departamento de Ciência dos Materiais, Faculdade de Ciências e Tecnologia, FCT, Universidade Nova de Lisboa and CEMOP/UNINOVA, 2829-516, Caparica, Portugal 3. Laboratoire d’E′nergétique et de Mécanique Théorique et Appliqué, UMR 7563, CNRS et Université de Lorraine, Vandoeuvre Les, Nancy, 54506, France 4. Laboratoire Structures, Propriétés et Modélisation des Solides, UMR CNRS 8580, école Centrale Paris, Chatenay-Malabry, 92295, France |
| Abstract: | 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 ?148 μV/K at T = 300 K was obtained in the in-plane direction for V2O5 thin films with thickness less than 100 nm. |
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