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Your search keyword '"Li, W. D."' showing total 1 results
Start Over Author "Li, W. D." Topic molecular structure Journal european physical journal b: condensed matter
1 results on '"Li, W. D."'

1. Structural and electronic properties of YCrS from first-principles study.

Author

Wang, B.-T., Yin, W., Li, W.-D., and Wang, F.

Subjects
MOLECULAR structure, ELECTRONIC structure, MAGNETIC crystals, SULFIDES, DENSITY functionals, ANTIFERROMAGNETISM, FERMI surfaces
Abstract

We systematically study the structural, electronic, and magnetic properties of chromium sulfide YCrS by using density-functional theory. We find that antiferromagnetic order is more energetically favorable than ferromagnetic state and near the Fermi level the main occupation is from Cr 3 d states. [ABSTRACT FROM AUTHOR]

Published
2011
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