Study of Electronic and Magnetic Properties of CuPd, CuPt, Cu<sub>3</sub>Pd and Cu<sub>3</sub>Pt: Tight Binding Linear Muffin-Tin Orbitals Approach

Authors

  • Shiva Dahal Central Department of Physics Tribhuvan University, Kirtipur, Kathmandu
  • Gyanu Kafle Central Department of Physics Tribhuvan University, Kirtipur, Kathmandu
  • Gopi Chandra Kaphle Central Department of Physics Tribhuvan University, Kirtipur, Kathmandu
  • Narayan Prasad Adhikari Central Department of Physics Tribhuvan University, Kirtipur, Kathmandu

DOI:

https://doi.org/10.3126/jist.v19i1.13839

Keywords:

Band structure, TB-LMTO-ASA, Alloys, Density functional theory

Abstract

Electronic structure of ordered alloys CuPd, CuPt, Cu3Pd and Cu3Pt have been studied using Tight Binding Linear Muffin-Tin Orbitals Atomic Sphere Approximation (TB-LMTO-ASA). For the electronic properties, we have performed band structure calculations. Our findings show that all the systems considered are metallic in nature. To know the contribution of the orbitals in the bands, the system is analyzed via fat bands which reveal most of the contributions on valence band for CuPd, CuPt, Cu3Pd and Cu3Pt is from d-orbital and on conduction band is from s and p-orbitals. We have also checked the magnetic properties of the alloys. The density of states for spin up and spin down electrons have found to be same in each and every steps, showing non-magnetic nature of CuPd, CuPt, Cu3Pd and Cu3Pt.

Journal of Institute of Science and Technology, 2014, 19(1): 137-144

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Published

2015-11-08

How to Cite

Dahal, S., Kafle, G., Kaphle, G. C., & Adhikari, N. P. (2015). Study of Electronic and Magnetic Properties of CuPd, CuPt, Cu<sub>3</sub>Pd and Cu<sub>3</sub>Pt: Tight Binding Linear Muffin-Tin Orbitals Approach. Journal of Institute of Science and Technology, 19(1), 137–144. https://doi.org/10.3126/jist.v19i1.13839

Issue

Vol. 19 No. 1 (2014)

Section

Research Articles

License

The views and interpretations in this journal are those of the author(s). They are not attributable to the Institute of Science and Technology, T.U. and do not imply the expression of any opinion concerning the legal status of any country, territory, city, area of its authorities, or concerning the delimitation of its frontiers of boundaries.

The copyright of the articles is held by the Institute of Science and Technology, T.U.