Affiliation:
1. Centre of Excellence in Solid State Physics, University of the Punjab, Lahore 54590, Punjab, Pakistan
2. Department of Physics, COMSATS University Islamabad, Lahore Campus, Lahore 54000, Pakistan
Abstract
Density Functional Theory (DFT) is used to investigate the phonon properties of CoFeCrZ (Z[Formula: see text]=[Formula: see text]Al, Si, Ga, Ge) equiatomic Quaternary Heusler Alloys. These alloys crystallize in face centered cubic (FCC) structure and have three crystal structures Y-Type I, Y-Type II and Y-Type III on the basis of their atomic positions. For CoFeCrZ (Z[Formula: see text]=[Formula: see text]Al, Si, Ga, Ge), Y-Type I is the most stable structure found in the literature, so phonon dispersion curves for this structure are obtained with the help of norm-conserving pseudo potentials in Quantum ESPRESSO. Absence of negative frequencies in phonon dispersion curves proves the dynamical stability of all these alloys. Phonon dispersion curves are further used to obtain Reststrahlen band, a region where light reflects 100%. The calculated Reststrahlen bands for CoFeCrAl, CoFeCrSi, CoFeCrGa and CoFeCrGe are 4.179 THz ([Formula: see text]m), 4.30 THz ([Formula: see text]m), 3.35 THz ([Formula: see text]m) and 3.05 THz ([Formula: see text]m), respectively. These obtained values of Reststrahlen bands for CoFeCrZ (Z[Formula: see text]=[Formula: see text]Al, Si, Ga, Ge) lie within the far infra-red (FIR) region, and can be used in sensing, imaging and optoelectronic devices.
Publisher
World Scientific Pub Co Pte Lt
Subject
Condensed Matter Physics,Statistical and Nonlinear Physics
Cited by
2 articles.
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