GFO-AFM-FM

Published: 4 July 2025| Version 1 | DOI: 10.17632/b3jgc68sc4.1
Contributor:
ABHAY SINGH

Description

Data set contains DFT+U calculation results for R3c GaFeO3 at ground state conditions, considering the G-Type AFM and FM configuration of Fe Sublattices. Results indicate prominent multifunctional potential of this material.

Files

Steps to reproduce

One can begin with initial crystal structure and follow the methodology of standard solid state DFT calculations. For exact replication one can refer to the associated research publication.

Institutions

  • Aligarh Muslim University

Categories

Electronic Band Structure

Licence