Electronic and magnetic properties of Li1.5Mn0.5As alloys in the Cu2Sb structure

Fong CY, Damewood L, Yang LH, Felser C (2013)

Publication Type: Conference contribution

Publication year: 2013

Journal

Advanced Materials Research Trans Tech Publications

Book Volume: 702

Pages Range: 231-235

Conference Proceedings Title: Advanced Materials Research

Event location: USA

ISBN: 9783037856789

DOI: 10.4028/www.scientific.net/AMR.702.231

Abstract

We investigated two formula-units of Li1.5Mn0.5As alloys, such as Li3MnAs2, in the Cu2Sb crystal structure using an ab-initio algorithm. By interchanging Mn with each Li located at different positions of the Li4As2 unit cell, four separate alloys are formed. At the optimized lattice constant, two of these alloys are predicted to be ferromagnetic metals and the other two are half metals. The possibility of half metallicity in the first two is also explored. Both the modified Slater-Pauling-Kübler rule and the ionic model can characterize the magnetic moments of the half metals. © 2013 Trans Tech Publications, Switzerland.

Involved external institutions

Lawrence Livermore National Laboratory US United States (USA) (US) University of California Davis (UCDAVIS) US United States (USA) (US) Johannes Gutenberg-Universität Mainz (JGU) DE Germany (DE)

How to cite

APA:

Fong, C.Y., Damewood, L., Yang, L.H., & Felser, C. (2013). Electronic and magnetic properties of Li1.5Mn0.5As alloys in the Cu2Sb structure. In Advanced Materials Research (pp. 231-235). USA.

MLA:

Fong, C. Y., et al. "Electronic and magnetic properties of Li1.5Mn0.5As alloys in the Cu2Sb structure." Proceedings of the 2013 1st International Conference on Solid State and Materials, ICSSM 2013, USA 2013. 231-235.

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