The effect of the SnO2 substrate on the band gap and magnetic proprieties of MgH2 ultra-thin films: Ab-initio calculation

Authors

E. Salmani, Faculté des Sciences Rabat
M. Rouchdi, Faculté des Sciences Rabat
A. Endichi, Faculté des Sciences Rabat
E. Benchafia, New Jersey Institute of Technology
H. Ez-Zahraouy, Faculté des Sciences Rabat
N. Hassanain, Faculté des Sciences Rabat
A. Mzerd, Faculté des Sciences Rabat
A. Benyoussef, MAScIR

Document Type

Article

Publication Date

3-1-2019

Abstract

Using first principles calculations based on density functional theory, a computational investigation is carried out to explore the electronic band structures over a range of multilayer of MgH2 materials on SnO2 substrate. The results show that the band structure of magnesium hydride can be tuned by designing ultra thin layer devices that can affect the interatomic distances in a substrate -engineering approach, such a scheme can have marvelous applications for the design of new semiconductor materials and devices.

Identifier

85062264433 (Scopus)

Publication Title

Superlattices and Microstructures

External Full Text Location

https://doi.org/10.1016/j.spmi.2018.03.043

e-ISSN

10963677

ISSN

07496036

First Page

27

Last Page

34

Volume

127

Recommended Citation

Salmani, E.; Rouchdi, M.; Endichi, A.; Benchafia, E.; Ez-Zahraouy, H.; Hassanain, N.; Mzerd, A.; and Benyoussef, A., "The effect of the SnO2 substrate on the band gap and magnetic proprieties of MgH2 ultra-thin films: Ab-initio calculation" (2019). Faculty Publications. 7761.
https://digitalcommons.njit.edu/fac_pubs/7761