Modulating the Combinatorial Target Power of MgSnN₂ via RF Magnetron Sputtering for Enhanced Optoelectronic Performance: Mechanistic Insights from DFT Studies

Karthik kumar Chinnakutti; A.M. Kamalan Kirubaharan; Lokanath Patra; Ravindra Pandey; Jayaraman Theerthagiri; Panneerselvam Vengatesh; Shyju Thankaraj Salammal; Naveena Paramasivam; Anandan Sambandam; Jitti Kasemchainan; Myong Yong Choi

doi:10.1021/acsami.2c22514

journal article·2023-03-10

Modulating the Combinatorial Target Power of MgSnN₂ via RF Magnetron Sputtering for Enhanced Optoelectronic Performance: Mechanistic Insights from DFT Studies

Karthik kumar Chinnakutti, A.M. Kamalan Kirubaharan, Lokanath Patra, Ravindra Pandey, Jayaraman Theerthagiri, Panneerselvam Vengatesh, Shyju Thankaraj Salammal, Naveena Paramasivam, Anandan Sambandam, Jitti Kasemchainan, Myong Yong Choi

ACS Applied Materials & Interfaces

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Abstract

The unique structural features of many ternary nitride materials with strong chemical bonding and band gaps above 2.0 eV are limited and are experimentally unexplored. It is important to identify candidate materials for optoelectronic devices, particularly for light-emitting diodes (LEDs) and absorbers in tandem photovoltaics. Here, we fabricated MgSnN 2 thin films, as promising II–IV–N 2 semiconductors, on stainless-steel, glass, and silicon substrates via combinatorial radio-frequency magnetron sputtering. The structural defects of the MgSnN 2 films were studied as a function of the Sn power density, while the Mg and Sn atomic ratios remained constant. Polycrystalline orthorhombic MgSnN 2 was grown on the (120) orientation within a wide optical band gap range of ∼2.20–2.17 eV. The carrier densities of 2.18× 10 20 to 1.02 × 10 21 cm –3, mobilities between 3.75 and 2.24 cm 2 /Vs, and a decrease in resistivity from 7.64 to 2.73 × 10 –3 Ω cm were confirmed by Hall-effect measurements. These high carrier concentrations suggested that the optical band gap measurements were affected by a Burstein–Moss shift. Furthermore, the electrochemical capacitance properties of the optimal MgSnN 2 film exhibited an areal capacitance of 152.5 mF/cm 2 at 10 mV/s with high retention stability. The experimental and theoretical results showed that MgSnN 2 films were effective semiconductor nitrides toward the progression of solar absorbers and LEDs.

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Research context

Metals & alloys Ceramics & glasses Electronic materials

OpenAlex topics: MXene and MAX Phase Materials · Metal and Thin Film Mechanics · Machine Learning in Materials Science

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Chemical Technology, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand

Coating Department, Centre for Functional and Surface Functionalised Glass, Alexander Dubcek University of Trencin, Trencin 91150, Slovakia

Department of Mechanical Engineering, University of California, Santa Barbara, California 93106, United States

Department of Physics, Michigan Technological University, Houghton, Michigan 49931, United States

Core-Facility Center for Photochemistry & Nanomaterials, Department of Chemistry (BK21 FOUR), Research Institute of Natural Sciences, Gyeongsang National University, Jinju 52828, Republic of Korea

Centre of Excellence for Energy Research, Sathyabama Institute of Science and Technology, Chennai 600119, India

Centre for Nanoscience and Nanotechnology, Sathyabama Institute of Science and Technology, Chennai 600119, India

Condensed Matter Theory Lab, Department of Physics, National Institute of Technology, Tiruchirappalli 620015, India

Nanomaterials and Solar Conversion Laboratory, Department of Chemistry, National Institute of Technology, Tiruchirappalli 620015, India

Funding

Science and Engineering Research Board · National Research Foundation of Korea · Korea Basic Science Institute · Chulalongkorn University

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