Bulk and surfaces half-metallicity of RbSe with zinc-blende structure: first-principles study View Full Text


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Article Info

DATE

2020-07-14

AUTHORS

Jabbar M. Khalaf Al-zyadi, Ahmed Hamad Ati, Kai- Lun Yao

ABSTRACT

In this paper, the electronic, magnetic, and half-metallicity characteristics of the bulk as well as (111) and (001) surfaces of zinc-bland RbSe compound are explained using the first-principles calculations. All of calculations are performed through GGA approximations, and the results reveal that both the bulk and ends of the surfaces preserve the half-metallic property. In addition, the stability of the surfaces is computed. It is discovered that the Rb-terminated (001) is the most stable one compared to other terminates. Based on the magnetic characteristic computations, the spin magnetic moment of bulk is equal to 1 µB, while this value has changed at the surfaces due to the effects of surface states. All of the above-mentioned properties mark this compound as a suitable promising candidate for spintronics applications. More... »

PAGES

612

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s00339-020-03798-7

DOI

http://dx.doi.org/10.1007/s00339-020-03798-7

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1129352830


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