TY - JOUR
T1 - Ab initio calculations and measurements of thermoelectric properties of V2O5 films
AU - Chumakov, Yu
AU - Xiong, S. Y.
AU - Santos, J. R.
AU - Ferreira, I.
AU - Termentzidis, K.
AU - Pokropivny, A.
AU - Cortona, P.
AU - Volz, S.
N1 - J.R. Santos and Isabel Ferreira would like to acknowledge the financial support by FCT-MEC through the Strategic PEst-C/CTM/LA0025/2011 and the NANOTEG-ENIAC/002/2010 projects.
PY - 2013/7/1
Y1 - 2013/7/1
N2 - Density functional theory and the Boltzmann transport equation were used to calculate the thermoelectric transport coefficients for bulk V 2O5 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.
AB - Density functional theory and the Boltzmann transport equation were used to calculate the thermoelectric transport coefficients for bulk V 2O5 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.
KW - Boltzmann transport equation
KW - density functional theory
KW - thermoelectric properties
KW - VO thin films
UR - http://www.scopus.com/inward/record.url?scp=84879793759&partnerID=8YFLogxK
U2 - 10.1007/s11664-012-2329-6
DO - 10.1007/s11664-012-2329-6
M3 - Article
AN - SCOPUS:84879793759
VL - 42
SP - 1597
EP - 1603
JO - Journal of electronic materials
JF - Journal of electronic materials
SN - 0361-5235
IS - 7
ER -