Thermoelectric properties of doped BaHfO{sub 3}

Journal Article · Fri May 06 00:00:00 EDT 2016 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4946176· OSTI ID:22591300

Bhamu, K. C. ^[1]; Sharma, Ramesh ^[2]

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1. Department of Physics, Goa University, Goa-403 206 (India)
2. Dept. of Physics, Feroze Gandhi Institute of Engineering & Technology, Raebareli-229001, U.P India (India)

We have studied the structural stability, electronic structure, optical properties and thermoelectric properties of doped BaHfO{sub 3} by full potential linearized augmented plane wave (FP-LAPW) method. The electronic structure of BaHfO{sub 3} doped with Sr shows enhances the indirect band gaps of 3.53 eV, 3.58 eV. The charge density plots show strong ionic bonding in Ba-Hf, and ionic and covalent bonding between Hf and O. Calculations of the optical spectra, viz., the dielectric function, refractive index and extinction coefficient are performed for the energy range are calculated and analyzed. Thermoelectric properties of semi conducting are also reported first time. The doped BaHfO{sub 3} is approximately wide band gap semiconductor with the large p-type Seebeck coefficient. The power factor of BaHfO{sub 3} is increased with Sr doping, decreases because of low electrical resistivity and thermal conductivity.

• OSTI ID: 22591300
• Journal Information: AIP Conference Proceedings, Journal Name: AIP Conference Proceedings Journal Issue: 1 Vol. 1728; ISSN 0094-243X; ISSN APCPCS
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ABSORPTION SPECTRA
BARIUM COMPOUNDS
CHARGE DENSITY
COVALENCE
DIELECTRIC MATERIALS
DOPED MATERIALS
ELECTRIC CONDUCTIVITY
ELECTRONIC STRUCTURE
HAFNIUM OXIDES
PHASE STABILITY
POTENTIALS
POWER FACTOR
REFRACTIVE INDEX
SEEBECK EFFECT
SEMICONDUCTOR MATERIALS
STRONTIUM
THERMAL CONDUCTIVITY
THERMOELECTRIC PROPERTIES
WAVE PROPAGATION