Volume 4 Number 3 (May 2014)
Home > Archive > 2014 > Volume 4 Number 3 (May 2014) >
IJAPM 2014 Vol.4(3): 176-179 ISSN: 2010-362X
DOI: 10.7763/IJAPM.2014.V4.278

Ab-Initio Calculations of Structural, Electronic, and Optical Properties of Cd1–xMnxTe

Bimal Kumar Sarkar
Abstract—We have reported ab-initio calculations of the electronic, structural and linear optical properties of Cd1–xMnxTe compounds. Ab-initio calculations are performed in the framework of full potential linearized-augmented plane-wave plus local orbitals (FP-LAPW+l0) method based on the density functional theory (DFT) within the generalized gradient approximation (GGA). Murnaghan’s equation of state (EOS) is used for volume optimization by minimizing the total energy with respect to the unit cell. The linear optical properties such as dielectric function, reflectivity, and refractive index are obtained. In the plots of the imaginary part of the complex dielectric function, the absorption threshold shifts toward higher energy with the increase in Mn contents.

Index Terms—Ab initio calculations, density-functional theory, equations of state, optical properties, dielectric function.

Bimal Kumar Sarkar is with the Galgotias University, India (e-mail: bks@physics.org.in).

Cite: Bimal Kumar Sarkar, "Ab-Initio Calculations of Structural, Electronic, and Optical Properties of Cd1–xMnxTe," International Journal of Applied Physics and Mathematics vol. 4, no. 3, pp. 176-179, 2014.

General Information

ISSN: 2010-362X (Online)
Abbreviated Title: Int. J. Appl. Phys. Math.
Frequency: Quarterly
DOI: 10.17706/IJAPM
Editor-in-Chief: Prof. Haydar Akca 
Abstracting/ Indexing:  Index Copernicus, EI (INSPEC, IET), Chemical Abstracts Services (CAS), Nanowerk Database, Google Scholar, EBSCO, etc.
E-mail: ijapm@iap.org
  • May 14, 2019 News!

    IJAPM Vol 7, No 4-Vol 8, No 3 have been indexed by EI (Inspec)   [Click]

  • Jun 17, 2020 News!

    Vol 10, No 3 has been published with online version   [Click]

  • Apr 02, 2020 News!

    The paper published in Vol 10, No 2 has received dois from Crossref

  • Mar 25, 2020 News!

    Vol 10, No 2 has been published with online version     [Click]

  • Dec 13, 2019 News!

    The paper published in Vol 10, No 1 has received dois from Crossref

  • Read more>>