A First Principle Analysis of Electrical and Superconducting Properties of YBa2Cu3O7
A First Principle Analysis of Electrical and Superconducting Properties of YBa2Cu3O7 |
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| © 2025 by IJETT Journal | ||
| Volume-73 Issue-1 |
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| Year of Publication : 2025 | ||
| Author : Laxmikanta Mahapatra, Gyanananda Panda, Kamal Lochan Mohanta |
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| DOI : 10.14445/22315381/IJETT-V73I1P105 | ||
How to Cite?
Laxmikanta Mahapatra, Gyanananda Panda, Kamal Lochan Mohanta, "A First Principle Analysis of Electrical and Superconducting Properties of YBa2Cu3O7," International Journal of Engineering Trends and Technology, vol. 73, no. 1, pp. 68-76, 2025. Crossref, https://doi.org/10.14445/22315381/IJETT-V73I1P105
Abstract
The compound YBa2Cu3O7 (Y-123) was discovered in 1987. It is a Cu-based high-Tc superconducting compound with a Perovskite-like structure. It was the first material that showed its superconducting character above the temperature of Liquid Nitrogen, i.e. at 77K. We have calculated the electronic properties of YBa2Cu3O7 using Quantum ESPRESSO with the DFT approach. By modifying this material’s lattice parameter and other geometrical properties, we obtained its SCF (Self-Consistent Field), calculated the Density of States (DOS), energy band structure, pressure effect, and Fermi surface, and described it more widely. We observed decreased transition temperature, lattice parameter, and unit cell volume by applying pressure from 1GPa to 15GPa. Here, we have used CASTEP software to calculate the Fermi surface of the material YBa2Cu3O7.
Keywords
First principle calculation, Density functional theory, Band diagram, Density of states, Pressure effect.
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