Electronic Structure and Optical Properties of BaTi0.75Nd0.25O3

The electronic-energy band structure and optical properties of BaTi0.75Nd0.25O3are calculated by the pseudo-potential plane wave (PP-PW) mehod with the generalized gradient approximation (GGA). The energy band structure, density of states (DOS) are obtained. The optical properties including the dielectric function, reflectivity, absorption spectrum, extinction coefficient, energy-loss spectrum and refractive index are also discussed.

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Electronic Structure and Optical Properties of SrTi0.5Zr0.5O3

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.846-847.1919 ◽

2013 ◽

Vol 846-847 ◽

pp. 1919-1922

Author(s):

Hong Liang Pan ◽

Teng Li ◽

Shi Liang Yang ◽

Yi Ming Liu

Keyword(s):

Optical Properties ◽

Band Structure ◽

Energy Band ◽

Electronic Energy ◽

Energy Band Structure ◽

Generalized Gradient ◽

Generalized Gradient Approximation ◽

Structure Density ◽

Pseudo Potential ◽

Electronic Energy Band

The electronic-energy band structure and optical properties of SrTi0.5Zr0.5O3are calculated by the pseudo-potential plane wave (PP-PW) mehod with the generalized gradient approximation (GGA). The energy band structure, density of states (DOS) are obtained. The optical properties including the dielectric function, reflectivity, absorption spectrum, extinction coefficient, energy-loss spectrum and refractive index are also discussed.

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Optical properties and electronic energy-band structure of Cu2 ZnSnS4

physica status solidi (c) ◽

10.1002/pssc.201400254 ◽

2015 ◽

Vol 12 (6) ◽

pp. 717-720 ◽

Cited By ~ 2

Author(s):

Shunji Ozaki ◽

Keiji Hoshina ◽

Yuji Usami

Keyword(s):

Optical Properties ◽

Band Structure ◽

Energy Band ◽

Electronic Energy ◽

Energy Band Structure ◽

Electronic Energy Band

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First-Principles Study of Structural, Electronic and Optical Properties in BaTi0.5Ni0.5O3

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.834-836.268 ◽

2013 ◽

Vol 834-836 ◽

pp. 268-271

Author(s):

Hong Liang Pan ◽

Shi Liang Yang ◽

Teng Li

Keyword(s):

Refractive Index ◽

Optical Properties ◽

Absorption Spectrum ◽

First Principles ◽

Energy Band Structure ◽

Generalized Gradient ◽

Electronic And Optical Properties ◽

Generalized Gradient Approximation ◽

Structure Density ◽

Pseudo Potential

The pseudo-potential plane wave (PP-PW) mehod with the generalized gradient approximation (GGA) is applied to study the electronic and optical properties of BaTi0.5Ni0.5O3. The energy band structure, density of states (DOS) are obtained. The optical properties including the dielectric function, reflectivity, absorption spectrum, extinction coefficient, energy-loss spectrum and refractive index are also calculated and analyzed in detail.

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