Disorder and Itinerant Magnetism in Full Heusler Pd2TiIn
ORAL
Abstract
We report the electronic and magnetic properties of full Heusler Pd2TiIn based on first principles
calculations. We use general potential linearized augmented planewave method to reexamine
this issue using all electron, relativistic calculations, without shape or frozen core approximations.
We find that ideal ordered Heusler Pd2TiIn remains non-magnetic. However, we do find that it is
possible to explain the magnetism seen in some experiments through disorder and in particular we
find that site disorder can lead to moment formation in this compound. In addition, we find an
alternative low energy cubic crystal structure, which will be of interest to explore experimentally.
calculations. We use general potential linearized augmented planewave method to reexamine
this issue using all electron, relativistic calculations, without shape or frozen core approximations.
We find that ideal ordered Heusler Pd2TiIn remains non-magnetic. However, we do find that it is
possible to explain the magnetism seen in some experiments through disorder and in particular we
find that site disorder can lead to moment formation in this compound. In addition, we find an
alternative low energy cubic crystal structure, which will be of interest to explore experimentally.
*Work at the University of Missouri is supported by the Department of Energy, Basic Energy Sciences, Award
DE-SC0019114. Support for work at Shanghai University is provided by the National Natural Science Foundation of China
–
Presenters
-
Guanhua Qin
- Shanghai University