First-principles calculations of phosphorene doped with carbon, oxygen and sulfur

Wuli Xuebao/Acta Physica Sinica

Volumn 63, Issue 20, 2014, Pages

  Tan, Xing Yi ^a   Wang, Jia Heng ^a   Zhu, Yi Yi ^a   Zuo, An You ^a   Jin, Ke Xin ^b  

^a HUBEI UNIVERSITY FOR NATIONALITIES   (China)

^b NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

Author keywords

Electronic structures; First principles calculations; Magnetic properties; Phosphorene

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; FERROMAGNETISM; MAGNETIC PROPERTIES; MAGNETISM; SULFUR;

FIRST-PRINCIPLES CALCULATION; GEOMETRIC DISTORTION; GEOMETRIC STRUCTURE; MAGNETIZATION VALUES; OXYGEN AND SULFURS; PHOSPHORENE; PSEUDOPOTENTIALS; STABLE FERROMAGNETISM;

CALCULATIONS;

EID: 84919494876     PISSN: 10003290     EISSN: None     Source Type: Journal    
DOI: 10.7498/aps.63.207301     Document Type: Article

References (16)

1. Britnell L, Gorbachev R V, Jalil R, Belle B D, Schedin F, Mishchenko A, Georgiou T, Katsnelson M I, Eaves L, Morozov S V, Peres N M R, Leist J, Geim A K, Novoselov K S, Ponomarenko L A 2012 Science 335 947
2. Oviedo J, Bowler D R, Gillan M J 2002 Surf. Sci. 515 483
3. Ayari A, Cobas E, Ogundadegbe O, Fuhrer M S 2007 J. Appl. Phys. 101 014507
4. Radisavljevic B, Radenovic A, Brivio J, Giacometti V, Kis A 2011 Nature Nanotech. 6 147
5. Yin Z, Li H, Li H, Jiang L, Shi Y, Sun Y, Lu G, Zhang Q, Chen X, Zhang H 2012 ACS Nano 6 74
6. Zhang Y, Ye J, Matsuhashi Y, Iwasa Y 2012 Nano Lett. 12 1136
7. Liu J, Liang P, Shu H B, Shen T, Xing S, Wu Q 2014 Acta Phys. Sin. 63 117101 (in Chinese)
8. Wang Q H, Zadeh K K, Kis K, Coleman J N, Strano M S 2012 Nature Nanotech. 7 699
9. Lai Z P 2013 Acta Phys. Sin. 62 056801 (in Chinese)
10. Takao Y, Morita A 1981 J. Phys. Soc. Jpn. 50 3362
11. Li L K, Yu Y J, Ye G J, Ge Q Q, Ou X D, Wu H, Feng D L, Chen X H, Zhang Y B 2014 Nature Nanotech. 9 372
12. Segall M D, Philip J D Lindan, Probert M J, Pickard C J, Hasnip P J, Clark S J, Payne M C 2002 J. Phys.: Condens. Matter 14 2717
13. Du Y L, Ouyang C Y, Shi S Q, Lei M S 2010 J. Appl. Phys. 107 093718
14. Xiao B, Feng J, Zhou C T, Xing J D, Xie X J, Chen Y H 2008 Chem. Phys. Lett. 459 129
15. Kudrnovsky J, Turek I, Drchal V, Maca F, Weinberger P, Bruno P 2004 Phys. Rev. B 69 115208
16. Máca F, Kudrnovs J, Drchal V, Bouzerar G 2008 Appl. Phys. Lett. 92 212503