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Structural, Impedance, Dielectric and Modulus Analysis of Li_{0.5-x}La_{0.5}Ti_{1-x}Nb_{x}O_3 (x = 0, 0.05, 0.1, and 0.15)

100%

Vijaya Babu K., Veeraiah V., Subba Rao P.

Acta Physica Polonica A

2012

vol. 122

issue 4

688-692

The perovskite lithium lanthanum titanate shows high ionic conductivity at room temperature. Doping the lithium lanthanum titanate by niobium preserves the perovskite structure, which is synthesized by ceramic technology at high temperature (1300°C). The X-ray diffraction and scanning electron microscopy results show that the samples exhibit single phase. AC impedance measurements indicate total conductivity of about 8.93 × 10^{-4} S/cm for composition of x = 0.05 at room temperature. The Raman spectra and cyclic voltammetry results of the compound are also reported.

Structural, Elastic, Electronic, and Optical Properties of Cubic Perovskite CsCaCl_3 Compound: An ab initio Study

88%

Ephraim Babu K., Murali N., Vijaya Babu K., Taddesse Shibeshi P., Veeraiah V.

vol. 125

issue 5

1179-1185

Structural, elastic, electronic, and optical properties of cubic perovskite CsCaCl_3 are calculated using the full-potential linearized augmented plane wave method in the density functional theory. The exchange-correlation potential is evaluated using the local density approximation and generalized gradient approximation. Further, the modified Becke-Johnson potential is also applied for studying the electronic and optical properties. The calculated structural properties such as equilibrium lattice constant, the bulk modulus and its pressure derivative are in good agreement with the available data. The elastic properties such as elastic constants, anisotropy factor, shear modulus, Young's modulus and Poisson's ratio are calculated. The calculations of electronic band structure, density of states and charge density show that this compound has an indirect energy band gap (M-Γ) with a mixed ionic and covalent bonding. Calculations of the optical spectra such as the real and imaginary parts of dielectric function, optical reflectivity, absorption coefficient, optical conductivity, refractive index, extinction coefficient and electron energy loss are performed for the energy range of 0-30 eV. Most of the studied properties are reported for the first time for CsCaCl_3.

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2 Acta Physica Polonica A

1 2014

1 2012

2 Veeraiah V.

2 Vijaya Babu K.

1 Ephraim Babu K.

1 Murali N.

1 Subba Rao P.

1 Taddesse Shibeshi P.

Search results

Structural, Impedance, Dielectric and Modulus Analysis of Li_{0.5-x}La_{0.5}Ti_{1-x}Nb_{x}O_3 (x = 0, 0.05, 0.1, and 0.15)

Structural, Elastic, Electronic, and Optical Properties of Cubic Perovskite CsCaCl_3 Compound: An ab initio Study