• Eduardo Menendez Proupin

Articles written in Pramana – Journal of Physics

• Elastic constants and Debye temperature of wz-AlN and wz-GaN semiconductors under high pressure from first-principles

First-principles calculations were performed to study the elastic stiffness constants ($C_{ij}$) and Debye temperature ($\theta_D$) of wurzite (wz) AlN and GaN binary semiconductors at high pressure. The lattice constants were calculated from the optimized structure of these materials. The band gaps were calculated at 𝛤 point using local density approximation (LDA) approach. The unit cell volume, lattice parameters, $c/a$, internal parameter (𝑢), elastic constant ($C_{ij}$), Debye temperature ($\theta_D$), Hubbard parameter (𝑈) and band gap ($E_g$) were studied under different pressures. The bulk modulus ($B_0$), reduced bulk modulus ($B'_0$) and Poisson ratio ($\vee$) were also calculated. The calculated values of these parameters are in fair agreement with the available experimental and reported values.

• # Pramana – Journal of Physics

Volume 96, 2022
All articles
Continuous Article Publishing mode

• # Editorial Note on Continuous Article Publication

Posted on July 25, 2019

Click here for Editorial Note on CAP Mode

© 2021-2022 Indian Academy of Sciences, Bengaluru.