Speaker
Description
Indium (II) selenide is a layered material with useful properties for electronics, solar cells, and other modern technologies. It is made up of thin sheets of atoms that are held together by weak forces, and it also belongs to group of metal chalcogenides. The study is about the atomic structure and electronic properties of InSe using density functional theory (DFT). Looking at the structural properties, the lattice constants, total energy, volume, bulk modulus and bulk modulus derivative were calculated. The general lattice optimization of hexagonal structure generated the lattice constants a = b = 7.60 Bohr (4.02 Å) and c = 34.04 Bohr (18.02 Å). In addition, the electronic band structure and total density of states were used to analyse the electronic properties. The calculated lattice constant and bulk modulus agree with some of the previous calculation. Furthermore, the band structure and total density of state suggests that hexagonal InSe is a semiconductor material with an indirect band gap of approximately 1.4 eV.
| Apply for student award at which level: | MSc |
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| Consent on use of personal information: Abstract Submission | Yes, I ACCEPT |