The spinel-garnet phase transition in the Earth’s upper mantle: a first-principles study

Published: 29 July 2025| Version 1 | DOI: 10.17632/vhjbpjwx9p.1
Contributor:
Zeinab Gholami Mahmoodabadi

Description

1- Equation of state (EOS) for Al-spinel. 2- Optimized Lattice parameters. 3- Change of entropy (ΔS) with temperature. 4- Partial Density of States (DOS) of spinel.

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Steps to reproduce

All calculations have been performed using first-principles density functional theory (DFT) within the framework of the Generalized Gradient Approximation (GGA).

Institutions

  • Indian Institute of Science Education and Research Kolkata

Categories

Mineral Physics

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