Full Potential Linearized Augmented Plane Wave Calculations of Structural and Optoelectronic Properties of KCdF3
International Journal of Science and Research (IJSR)

International Journal of Science and Research (IJSR)
www.ijsr.net | Open Access | Fully Refereed | Peer Reviewed International Journal

ISSN: 2319-7064



Downloads: 139 | Weekly Hits: ⮙4 | Monthly Hits: ⮙23

Research Paper | Physics Science | India | Volume 6 Issue 4, April 2017

Full Potential Linearized Augmented Plane Wave Calculations of Structural and Optoelectronic Properties of KCdF3

Madan Lal, Shikha Kapila

A theoretical study of structural and optoelectronic properties of ternary oxides such as KCdF3 are investigated through the full potential linearized augmented plane wave (FP-LAPW) method in the density functional theory. The KohnSham equations are solved by applying the full potential linearized augmented plane wave (FP-LAPW) method. The exchange correlation effects are included through the local density approximation (LDA), generalized gradient approximation (GGA) and modified Becke-Johnson (mBJ) exchange potential. The calculated lattice constant is in good agreement with the experimental result. The calculation of band structure and density of states shows that these compounds have indirect energy band gap (M-) with a mixed ionic and covalent bonding. Calculations of the optical spectra, viz., the real and imaginary parts of dielectric function, optical reflectivity, photoconductivity and refractive index are performed

Keywords: Optical properties, Band gap, FP-LAPW, Perovskites

Edition: Volume 6 Issue 4, April 2017

Pages: 1006 - 1010

Share this Article

How to Cite this Article?

Madan Lal, Shikha Kapila, "Full Potential Linearized Augmented Plane Wave Calculations of Structural and Optoelectronic Properties of KCdF3", International Journal of Science and Research (IJSR), https://www.ijsr.net/search_index_results_paperid.php?id=ART20172504, Volume 6 Issue 4, April 2017, 1006 - 1010

Enter Your Registered Email Address





Similar Articles with Keyword 'Optical properties'

Downloads: 47

Research Paper, Physics Science, Iraq, Volume 6 Issue 2, February 2017

Pages: 927 - 933

Effect of BaTiO3 Nanoparticles Amount Addition on Electro-Optical Properties of Side Chain Liquid Crystal Polymer

Khalid Al. Ammar; Hawra'a Abd-Al Amear Salih

Share this Article

Downloads: 100 | Monthly Hits: ⮙8

Research Paper, Physics Science, Iraq, Volume 5 Issue 8, August 2016

Pages: 1683 - 1687

Study of the Nonlinear Optical Properties of Lithium Triborate Crystal by Using Z-Scan Technique

Zahraa S. Shanon, Raad Sh. Alnayli, Khawla J. Tahir

Share this Article

Downloads: 102 | Weekly Hits: ⮙3

Research Paper, Physics Science, Iraq, Volume 5 Issue 11, November 2016

Pages: 1783 - 1788

Influence of Copper Content on Structural and Optical Properties of Cu2(x)Zn(1-x)S Thin Films

Adnan M. Mansoor Al-Saeedi

Share this Article

Downloads: 103 | Weekly Hits: ⮙2 | Monthly Hits: ⮙12

Research Paper, Physics Science, Iraq, Volume 3 Issue 10, October 2014

Pages: 1729 - 1732

Preparation of (PVA-PEG-PVP-MgO, CoO) Nanocomposites and Study their Optical Properties

Ibrahim R.Agool, Ahmed Hashim

Share this Article

Downloads: 105 | Weekly Hits: ⮙3

Research Paper, Physics Science, India, Volume 3 Issue 9, September 2014

Pages: 1442 - 1445

Structural, Electronic and Optical Properties of Doped Titanium Nanowire

Florina Regius, Gnaneshwar.P.V, Arjun Senthil, Moon Paul, Varun Nair

Share this Article

Similar Articles with Keyword 'Band gap'

Downloads: 96 | Weekly Hits: ⮙3

Research Paper, Physics Science, India, Volume 4 Issue 11, November 2015

Pages: 2167 - 2169

Room Temperature Ferromagnetism of La doped ZnO Nanorods

V. Shally

Share this Article

Downloads: 102 | Monthly Hits: ⮙7

Research Paper, Physics Science, India, Volume 4 Issue 4, April 2015

Pages: 1566 - 1571

Electrochromic Investigation of Manganese Oxide Thin Films by Spray Pyrolysis Technique

Bhargande S. K., Patil P. S.

Share this Article

Downloads: 102 | Weekly Hits: ⮙3

Research Paper, Physics Science, Iraq, Volume 5 Issue 11, November 2016

Pages: 1783 - 1788

Influence of Copper Content on Structural and Optical Properties of Cu2(x)Zn(1-x)S Thin Films

Adnan M. Mansoor Al-Saeedi

Share this Article

Downloads: 105 | Weekly Hits: ⮙3

Research Paper, Physics Science, India, Volume 3 Issue 9, September 2014

Pages: 1442 - 1445

Structural, Electronic and Optical Properties of Doped Titanium Nanowire

Florina Regius, Gnaneshwar.P.V, Arjun Senthil, Moon Paul, Varun Nair

Share this Article

Downloads: 105 | Weekly Hits: ⮙2 | Monthly Hits: ⮙9

Research Paper, Physics Science, India, Volume 5 Issue 12, December 2016

Pages: 1326 - 1327

Study of Band Gap of Solid Solution ZnTe Thin Films by Prepared by Spray Pyrolysis

Y. D. Tembhurkar

Share this Article

Similar Articles with Keyword 'Perovskites'

Downloads: 127 | Weekly Hits: ⮙5

Research Paper, Physics Science, India, Volume 4 Issue 5, May 2015

Pages: 1178 - 1180

A Study Focused on Ab-Initio Study of SrTiO3 Perovskites

Dubey Gaurav

Share this Article

Downloads: 139 | Weekly Hits: ⮙4 | Monthly Hits: ⮙23

Research Paper, Physics Science, India, Volume 6 Issue 4, April 2017

Pages: 1006 - 1010

Full Potential Linearized Augmented Plane Wave Calculations of Structural and Optoelectronic Properties of KCdF3

Madan Lal, Shikha Kapila

Share this Article



Top