Structural, electrical, magnetic &amp; optical properties of Nickel, cobalt doped and Co-doped wurtzite GaN: A first-principle investigation

Mumu, Homayra Tabassum; Zaman, Akib; Bhuiyan, Faharia Hasan; Aunkon, Rafat Hossain; Sharif, Ahmed

doi:10.1016/j.micrna.2022.207470

Micro and Nanostructures

2023

DOI: 10.1016/j.micrna.2022.207470

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Structural, electrical, magnetic & optical properties of Nickel, cobalt doped and Co-doped wurtzite GaN: A first-principle investigation

Homayra Tabassum Mumu

Akib Zaman

Faharia Hasan Bhuiyan

et al.

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2024

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Cited by 4 publications

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Realization of High‐Resistive Ni‐Doped GaN Crystal by Hydride Vapor‐Phase Epitaxy

Odani,

Iso,

Oshima

et al. 2024

Physica Status Solidi (b)

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Herein, high‐resistivity GaN is studied for use as an epitaxial substrate in lateral power devices. Fe‐, C‐, Mn‐, and Zn‐doped GaN monocrystals have high resistivity at a doping concentration of ≈1 × 1018 cm−3. However, a low doping concentration is preferred for growing GaN monocrystals; therefore, other dopants for GaN that yield high resistivity at a doping concentration less than 1 × 1018 cm−3 must be identified. Herein, NiCl2 is used as a precursor to grow Ni‐doped GaN monocrystals on GaN substrates via hydride vapor‐phase epitaxy. Two Ni‐doped GaN substrates with Ni concentrations corresponding to 2.7 × 1017 and 2.9 × 1018 cm−3 are obtained by varying the partial pressure of NiCl2. The resistivity of Ni‐doped GaN monocrystals is measured as a function of temperature using Hall effect measurements. The GaN monocrystals doped with 2.7 × 1017 cm−3 of Ni have a higher resistivity than those doped with 2.9 × 1018 cm−3 of Ni at 600–900 K. Charge‐neutrality calculations have shown that the depth of the Ni acceptor level in GaN is 1.4–1.5 eV, indicating that Ni‐doped GaN monocrystals have high resistivity owing to the deep acceptor level of Ni.

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Realization of High‐Resistive Ni‐Doped GaN Crystal by Hydride Vapor‐Phase Epitaxy

Odani,

Iso,

Oshima

et al. 2024

Physica Status Solidi (b)

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Study of vacancy defect in 2D/3D semiconductor heterostructure based on monolayer WSe2 and GaN

Ye,

Liang

2024

Materials Today Communications

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Understanding Defect-Mediated Ion Migration in Semiconductors using Atomistic Simulations and Machine Learning

Rahman,

Biswas,

Mannodi-Kanakkithodi

2024

ACS Mater. Au

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Ion migration in semiconductor devices is facilitated by the presence of point defects and has a major influence on electronic and optical properties. It is important to understand and identify ways to mitigate photoinduced and electrically induced defect-mediated ion migration in semiconductors. In this Perspective, we discuss the fundamental mechanisms of defectmediated ion migration and diffusion as understood through atomistic simulations. The discussion covers a variety of case studies from the literature, with a special focus on metal halide perovskites, important materials for solar absorption and related optoelectronic applications. Tuning the perovskite composition and dimensionality and applying systematic strains are identified as ways to suppress phase segregation and ion migration. This Perspective delves into first-principles modeling approaches for defect migration and diffusion, presenting detailed case studies on the diffusion of defects and dopants in CdTe, hydrogen impurities in halide perovskites, and halogen migration in hybrid perovskites and emphasizing the importance of organic cations. The discussion further extends to accelerating the prediction of migration pathways and barriers through machine learning approaches, particularly the application of crystal-graph neural networks. By combining theoretical insights with practical case studies, this Perspective aims to provide an understanding of defect-mediated ion migration and suggestions for next-generation semiconductor discovery while considering ion migration suppression as one of many design objectives.

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Structural, electrical, magnetic & optical properties of Nickel, cobalt doped and Co-doped wurtzite GaN: A first-principle investigation

Cited by 4 publications

References 65 publications

Realization of High‐Resistive Ni‐Doped GaN Crystal by Hydride Vapor‐Phase Epitaxy

Realization of High‐Resistive Ni‐Doped GaN Crystal by Hydride Vapor‐Phase Epitaxy

Study of vacancy defect in 2D/3D semiconductor heterostructure based on monolayer WSe2 and GaN

Understanding Defect-Mediated Ion Migration in Semiconductors using Atomistic Simulations and Machine Learning

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