Electronic structures and magnetic properties in Ti-doped ZnS
作者： Yifei Chen , Wenbo Mi , Jinfeng Yang , Qinggong Song , Huiyu Yan
DOI: 10.1016/J.SSC.2014.12.018
关键词:
摘要: Abstract Using first-principles calculations based on density functional theory, we investigated systematically the electronic structures and magnetic properties in Ti doped ZnS. The results indicate that it is likely for to order ferromagnetically moment mainly comes from spin polarized atoms. It has been found ferromagnetic coupling between two atoms short-range stability can be evidently enhanced by introducing S vacancy. Ti-doped ZnS explained terms of p–d hybridization mechanism.
elsevier.com
sci-hub.se 参考文章(44)
J. Osorio-Guillén, S. Lany, S. V. Barabash, A. Zunger, Magnetism without Magnetic Ions: Percolation, Exchange, and Formation Energies of Magnetism-Promoting Intrinsic Defects in CaO Physical Review Letters. ,vol. 96, pp. 107203- ,(2006) , 10.1103/PHYSREVLETT.96.107203
Marcel H. F. Sluiter, Y. Kawazoe, Parmanand Sharma, A. Inoue, A. R. Raju, C. Rout, U. V. Waghmare, First principles based design and experimental evidence for a ZnO-based ferromagnet at room temperature. Physical Review Letters. ,vol. 94, pp. 187204- ,(2005) , 10.1103/PHYSREVLETT.94.187204
SA Wolf, DD Awschalom, RA Buhrman, JM Daughton, von S von Molnár, ML Roukes, A Yu Chtchelkanova, DM Treger, Spintronics: A Spin-Based Electronics Vision for the Future Science. ,vol. 294, pp. 1488- 1495 ,(2001) , 10.1126/SCIENCE.1065389
H. X. Liu, Stephen Y. Wu, R. K. Singh, Lin Gu, David J. Smith, N. Newman, N. R. Dilley, L. Montes, M. B. Simmonds, Observation of ferromagnetism above 900 K in Cr-GaN and Cr-AlN Applied Physics Letters. ,vol. 85, pp. 4076- 4078 ,(2004) , 10.1063/1.1812581
Nguyen Hoa Hong, Joe Sakai, Ngo Thu Huong, Virginie Brizé, None, Room temperature ferromagnetism in laser ablated Ni-doped In2O3 thin films Applied Physics Letters. ,vol. 87, pp. 102505- ,(2005) , 10.1063/1.2041822
Chang-wen Zhang, Shi-shen Yan, First-principles prediction of half-metallic ferromagnetism in Cu-doped ZnS Journal of Applied Physics. ,vol. 107, pp. 043913- ,(2010) , 10.1063/1.3309771
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
Fenggong Wang, Zhiyong Pang, Liang Lin, Shaojie Fang, Ying Dai, Shenghao Han, Theoretical study of the magnetic interaction of Cr-doped ZnO with and without vacancies Journal of Magnetism and Magnetic Materials. ,vol. 321, pp. 3067- 3070 ,(2009) , 10.1016/J.JMMM.2009.05.004
P. Vinotha Boorana Lakshmi, K. Sakthi Raj, K. Ramachandran, Synthesis and characterization of nano ZnS doped with Mn Crystal Research and Technology. ,vol. 44, pp. 153- 158 ,(2009) , 10.1002/CRAT.200800271
Run Long, Niall J. English, Magnetic properties of first-row element-doped ZnS semiconductors: A density functional theory investigation Physical Review B. ,vol. 80, pp. 115212- ,(2009) , 10.1103/PHYSREVB.80.115212