Journal
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
Volume 405, Issue -, Pages 253-258Publisher
ELSEVIER
DOI: 10.1016/j.jmmm.2015.12.071
Keywords
CrO2; Half-metallic; Magnetic properties; First-principle
Funding
- Natural Science Basis Research Plan in Shaanxi Province of China [2013JM8004]
- China Postdoctoral Science Foundation [2014M560798]
- National Natural Science Foundation of China [21276207]
- Shaanxi Province Postdoctoral Science Foundation (111)
- Xi'an University of Science and Technology PhD Scientific Research Foundation [2013QDJ002]
Ask authors/readers for more resources
Magnetic and electronic properties of S- and N-doped CrO2 are studied by using the first-principle projector augmented wave potential within the generalized gradient approximation. The optimized lattice constants for CrO(2)agree well with the previous work. With increasing S doping (N doping), the lattice constants of CrO2-xSx (CrO2-xNx) (x=0.5, 1 and 1.5) all increase (decrease), While these compounds remain the tetragonal structure. CrO1.5S0.5, Cr1.5N0.5 and CrON compounds remain the halfmetallicity, while the band gap is determined by different factors. It is also found that the change of the total magnetic moment with equivalent atom S doping in CrO2 compound is small except for x=1. (C) 2015 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
Share Paper
