Journal
PHYSICS LETTERS A
Volume 382, Issue 42-43, Pages 3120-3124Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physleta.2018.08.019
Keywords
BC2N; Hydrogenation; Density functional theory; Electronic structure; Magnetic moments
Categories
Funding
- National Natural Science Foundation of China [11504319, 11774123, 11474122, 11504125, 11404132]
- Science and Technology Development Plan Project of Jilin Province [20180520166JH, 20180520160JH]
- Scientific and Technological 13th Five-Year Plan Project of Education Department of Jilin Province [2016365]
Ask authors/readers for more resources
Density functional theory has been used to study the electronic and magnetic properties as well as the stability on the hydrogenated BC2N sheets. It is found that two different structures (BC2NH-I and BC2NH-II) with the ferromagnetic ground states can be formed when removing the H atoms from one side of semi-hydrogenated BC2N sheet. By applying tensile strain, both of their magnetisms are robust to 2.0 lie. However, the magnetisms are sensitively changed by compressive strain larger than-6%. The BC2NH-I system can be transitioned from semiconductor to half-metal and then to metal when the compressive strain is changed from-6% to-8%. And the BC2NH-II system can be changed into half metal by applying the compressive strain between-6% and-7.5%. Our calculation results suggest a possible way to tune the electronic and magnetic properties by choosing the appropriate structural type and the external strain, which would have potential applications in spintronics and nanodevices. (C) 2018 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available