Investigation of self-consistent site-dependent DFT + U effect on electronic band structure and optical properties of SiFe2O4 spinel

Investigation of self-consistent site-dependent DFT + U effect on electronic band structure and optical properties of SiFe2O4 spinel

The first-principle investigation of SiFe _2 O _4 (SFO) spinel was performed with the help of a plane-wave pseudopotential technique within the generalized gradient approximation (GGA) and local density approximation (LDA) as implemented in Quantum Espresso Simulation package. The Electronic band st...

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Bibliographic Details
Main Authors: M C Idris, A Shaari, R Razali, Abdullahi Lawal, S T Ahams
Format: Article
Language:English
Published: IOP Publishing 2020-01-01
Series:Materials Research Express
Subjects:
optoelectronics properties
SiFe2O4 spinel
DFT + U
dielectric constants
random phase approximation
Online Access:https://doi.org/10.1088/2053-1591/ab7619

Internet

https://doi.org/10.1088/2053-1591/ab7619

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