Possible values of lattice constant of silicene growth on substrate: Density functional calculation

Muhamad N. Manaf

Department of Electrical Engineering, Faculty of Information Technology, Universitas Nahdlatul Ulama Yogyakarta, Special Region of Yogyakarta, Indonesia.

Feri F. Laksana

Department of Computer Engineering, Faculty of Information Technology, Universitas Nahdlatul Ulama Yogyakarta, Special Region of Yogyakarta, Indonesia.

Rino Prihantoro

Department of Electrical Engineering, Faculty of Information Technology, Universitas Nahdlatul Ulama Yogyakarta, Special Region of Yogyakarta, Indonesia.

Muhammad Ikhsanudin

Department of Electrical Engineering, Faculty of Information Technology, Universitas Nahdlatul Ulama Yogyakarta, Special Region of Yogyakarta, Indonesia.

Irwan Novianto

Department of Electrical Engineering, Faculty of Information Technology, Universitas Nahdlatul Ulama Yogyakarta, Special Region of Yogyakarta, Indonesia.

Abdulloh Badruzzaman

Department of Informatics, Faculty of Information Technology, Universitas Nahdlatul Ulama Yogyakarta, Special Region of Yogyakarta, Indonesia.

Mochamad Syamsiro

Department of Mechanical Engineering, Faculty of Engineering, Janabadra University, Special Region of Yogyakarta, Indonesia.

DOI: https://doi.org/10.14456/apst.2025.23

Keywords: Monolayer Silicon Stability Strain Synthesized

Abstract

We conducted calculations using First-Principles based on Density Functional Theory to determine the stability of monolayer silicene. A quasi-freestanding of monolayer silicene was applied as a model during calculations. We investigated the total energy and the atomic configuration using various lattice constant. We analyzed that a monolayer of silicene in a freestanding state will never be synthesized. Silicene merely can be synthesized only on the top of the substrate. We found some possible values of the lattice constants of monolayer silicene on the substrate, especially in recent experiment which was silicene on the top of Au[111]. We also investigated the electronic structure of silicene using various lattice constant. We assumed that the strain engineering can be truly applied in silicene, and in all group IV monolayer. This opportunity opening the possibility of silicene for application of topological quantum computing.

How to Cite

Manaf, M. N., Laksana, F. F., Prihantoro, R. ., Ikhsanudin, M. ., Novianto, I. ., Badruzzaman, A. ., & Syamsiro, M. . (2025). Possible values of lattice constant of silicene growth on substrate: Density functional calculation. Asia-Pacific Journal of Science and Technology, 30(02), APST–30. https://doi.org/10.14456/apst.2025.23

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