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Toto Winata
ITB
Astronomy Computer Science & IT Earth & Planetary Sciences Electrical & Electronics Engineering Energy Engineering

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Effect of Dimensionality on The Electronic Properties of SnSe: A Density Functional Theory Study Fatimah Arofiati Noor; Erik Bhekti Yutomo; Toto Winata
Indonesian Journal of Physics Vol 32 No 2 (2021): Vol 32 No 2 (2021)
Publisher : Institut Teknologi Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (609.315 KB) | DOI: 10.5614/itb.ijp.2021.32.2.2

Abstract

This study investigated the structural and electronic properties of bulk, bilayer, and monolayer SnSe using the density functional theory (DFT) method. We succeeded in calculating the bandgap and identifying accurately the transformation of the band structure from bulk to monolayer systems using generalized gradient approximation. An increase in the lattice parameter a and a decrease in the lattice parameter b were observed when the bulk dimensions were reduced to a monolayer. The reduction of van der Waals interactions when the dimensions of a system are reduced is the main factor that causes changes in lattice parameters. The indirect bandgap of bulk SnSe (0.56 eV, 0.3∆→0.7Σ) becomes wider in the monolayer system (0.94 eV, 0.2∆→0.8Σ). Bandgap widening is predicted due to the emergence of the quantum confinement effect in low-dimensional systems. Furthermore, we found the formation of a quasi-degenerate minimum conduction band in the monolayer SnSe. With the formation of these bands, we predict the monolayer SnSe will have better thermoelectric properties than the bulk or bilayer system. This study provides an in-depth understanding of the electronic structure of SnSe and its correlation to thermoelectric properties.
The Effect of Niobium and Rubidium Doping on the Energy Band Gap of a Lithium Tantalate (LiTaO3) Thin Film Agus Ismangil; Fatimah Arofiati Noor; Toto Winata
Indonesian Journal of Physics Vol 32 No 2 (2021): Vol 32 No 2 (2021)
Publisher : Institut Teknologi Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (420.255 KB) | DOI: 10.5614/itb.ijp.2021.32.2.1

Abstract

Chemical solution deposition (CSD) is a technique for making a film by keeping synthetic arrangements on the outer layer of the substrate. The outcomes show that the band gap energy of the LiTaO3 film is 1 eV. Electrons are more effectively invigorated to the valence band than to the conduction band on the grounds that the energy required is not excessively huge. Niobium-doped LiTaO3 film has a band gap energy of 1.15 eV. A large amount of energy is needed for electrons to be energized from the valence band to the conduction band. The rubidium-doped LiTaO3 film has a band gap energy of 1.30 eV.
Co-Authors Agus Ismangil Erik Bhekti Yutomo Fatimah Arofiati Noor