Cu-doping impact on the electronic and magnetic properties of Co2ZrSn

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作者：
Tariq, A. [1 ]
Qurat-Ul-Ain [1 ]
Nazir, S. [1 ]
机构：
[1] Department of Physics, University of Sargodha, Sargodha, Pakistan
来源：
Physica B: Condensed Matter | 2020年 / 580卷
关键词：
The electronic and magnetic properties of Cu-doped Full-Heusler Co2ZrSn compound are investigated using first-principles calculations. The Cu-doping at Co-site (Cu@Co) exhibits a substantial impact on the physical properties of Co2ZrSn system. Half-metallic ferromagnetism is evident within the GGA method for the undoped system; while the GGA+U scheme diminishes the half-metallicity. Our calculations show that as Cu-concentration increases; the total magnetic moment of the system decrease and become non-magnetic for 75% and 100% Cu-doping within GGA and GGA+U methods; respectively; Furthermore; spin-polarization is computed; which is an important parameter for the utilization of magnetic materials in spintronic devices. Finally; the doped structure's stability is analyzed by calculating the formation energies. © 2019 Elsevier B.V;
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