Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/79936
Title: Half-metallic and magnetic semiconducting behaviors of metal-doped blue phosphorus nanoribbons from first-principles calculations
Authors: Zhu, SC 
Yip, CT 
Peng, SJ
Wu, KM
Yao, KL
Mak, CL 
Lam, CH 
Issue Date: 2018
Publisher: Royal Society of Chemistry
Source: Physical chemistry chemical physics, 21 Mar. 2018, v. 20, no. 11, p. 7635-7642 How to cite?
Journal: Physical chemistry chemical physics 
Abstract: We investigate the electronic and magnetic properties of substitutional metal atom impurities in two-dimensional (2D) blue phosphorene nanoribbons using first-principles calculations. In impure zigzag blue phosphorene nanoribbons (zBPNRs), a metal atom substitutes for a P atom at position A/B. The V-Bstructure shows half-metallic properties, while the Mn-A/B, V-A, Fe-B, and Cr-A/B structures show magnetic semiconductor properties. In addition, the Fe-A system shows magnetic metallic properties. On the other hand, for metal-doped armchair blue phosphorene nanoribbons (aBPNRs), the Mn-A/B, V-A, Fe-A/B, and Cr-A/B structures show magnetic semiconductor properties, while the V-B structure shows nonmagnetic properties. We find that the magnetic properties of such substitutional impurities can be understood by regarding the exchange splitting of the metal 3d orbitals. And from analyzing the electron orbitals, we conclude that the main contribution of the DOS for every system comes from the d and p orbitals. These results suggest excellent candidates for new magnetic semiconductors and half-metals for spintronic devices based on blue phosphorenes.
URI: http://hdl.handle.net/10397/79936
ISSN: 1463-9076
EISSN: 1463-9084
DOI: 10.1039/c7cp08635k
Appears in Collections:Journal/Magazine Article

Access
View full-text via PolyU eLinks SFX Query
Show full item record

SCOPUSTM   
Citations

2
Last Week
0
Last month
Citations as of Jan 6, 2019

WEB OF SCIENCETM
Citations

1
Last Week
0
Last month
Citations as of Jan 14, 2019

Page view(s)

2
Citations as of Jan 14, 2019

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.