Half metallic ferromagnetic and optical properties of ruthenium-doped zincblende ZnS: A first principles study

被引：27

作者：

Ghosal, Supriya ^{[1
]}

Luitel, Homnath ^{[2
,3
]}

Mandal, Sujoy K. ^{[1
]}

Sanyal, Dirtha ^{[2
,3
]}

Jana, Debnarayan ^{[1
]}

机构：

[1] Univ Calcutta, Dept Phys, 92 APC Rd, Kolkata 700009, W Bengal, India

[2] Variable Energy Cyclotron Ctr, 1-AF Bidhannagar, Kolkata 700064, W Bengal, India

[3] Training Sch Complex, Homi Bhabha Natl Inst, Mumbai 400094, Maharashtra, India

来源：

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 2020年 / 136卷

关键词：

First principles calculation; Ru-doped ZnS; Half metallic; RKKY; Optical properties; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; TRANSITION;

D O I：

10.1016/j.jpcs.2019.109175

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Magnetic and optical properties of Ru-doped ZnS have been investigated using first principles calculations. Due to Ru dopants, nonmagnetic ZnS becomes magnetic. Ru induces half metallic ferromagnetism with a total magnetic moment of 2.0 mu(B)/supercell. Furthermore, the origin of ferromagnetism in Ru-doped ZnS can be explained by Ruderman-Kittel-Kasuya-Yosida (RKKY) like exchange interaction. Curie temperature analysis indicates the possibility of room temperature ferromagnetism from the structures. Moreover, reflectivity spectra in optical calculations successfully describe the metallic properties introduced in the doped system. Static dielectric constant for 6.25% Ru doping gives approximately six times higher value in long wavelength limit compared to the pristine. With a significant amount of Ru, the doped system becomes efficient for visible light absorption. The study reveals that Ru-doped ZnS can be a promising candidate for potential applications in spintronic and optoelectronic devices.

引用

页数：8

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