Enhanced Ferromagnetism in Zn_0.5(Co)_0.5O alloy: DFT calculations

Authors

Alexandra B. Santos-Putungan ⋅ PH Material Science and Engineering Program, University of the Philippines Diliman
Joshua Gregor A. Dizon ⋅ PH National Institute of Physics, University of the Philippines Diliman
Darwin B. Putungan ⋅ PH Institute of Mathematical Sciences and Physics, University of the Philippines Los Baños
Francis N. C. Paraan ⋅ PH National Institute of Physics, University of the Philippines Diliman

Abstract

In this work, we studied the structure and magnetic properties of Zn_0.5(Co)_0.5O alloy via spin-polarized density functional theory (DFT). We utilized a 1x1 ZnO hexagonal wurtzite unit cell in a 4-atom bilayer configuration, with one Zn atom replaced by a Co atom. We found that the original lattice parameters of ZnO did not change appreciably upon Co alloying, and thus the structure remains robust. Similarly, minimal charge redistribution between the metals and oxygen is observed. Lastly, our calculations showed that the net magnetization of ZnO upon Co alloying is enhance significantly, much larger than that via doping. The results suggest that Zn_0.5(Co)_0.5O as a ferromagnetic material is a potential candidate for advanced spintronic applications.

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Issue

2015: Proceedings of the 33rd Samahang Pisika ng Pilipinas Physics Congress

Article ID

SPP-2015-PA-14

Section

Poster Session PA

Published

2015-06-03

How to Cite

[1]

AB Santos-Putungan, JGA Dizon, DB Putungan, and FNC Paraan, Enhanced Ferromagnetism in Zn0.5(Co)0.5O alloy: DFT calculations, Proceedings of the Samahang Pisika ng Pilipinas 33, SPP-2015-PA-14 (2015). URL: https://proceedings.spp-online.org/article/view/1173.