Disorder and Itinerant Magnetism in Full Heusler Pd$_2$TiIn
Guanhua Qin1,2, Wei Ren1*, David J. Singh2,3*, and Bing-Hua Lei2*
1Physics Department, Shanghai Key Laboratory of High Temperature Superconductors, State Key Laboratory of Advanced Special Steel, MGI and ICQMS, Shanghai University, Shanghai 200444, China 2Department of Physics and Astronomy, University of Missouri, Columbia, MO 65211, USA 3Department of Chemistry, University of Missouri, Columbia, MO 65211, USA
Abstract：We report electronic and magnetic properties of full Heusler Pd$_2$TiIn based on first principles calculations. This compound has been variously characterized as magnetic or non-magnetic. We use first principles calculations with accurate methods to reexamine this issue. We find that ideal ordered Heusler Pd$_2$TiIn remains non-magnetic, in accord with prior work. However, we do find that it is possible to explain the magnetism seen in 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.
收稿日期: 2020-10-09
出版日期: 2021-01-06
引用本文:
. [J]. 中国物理快报, 2021, 38(1): 17102-.
Guanhua Qin, Wei Ren, David J. Singh, and Bing-Hua Lei. Disorder and Itinerant Magnetism in Full Heusler Pd$_2$TiIn. Chin. Phys. Lett., 2021, 38(1): 17102-.
Jourdan M, Minar J, Braun J, Kronenberg A, Chadov S, Balke B, Glskovskii A, Kolbe M, Elmers H J, Schonhense G, Ebert H, Felser C and Klaui M 2014 Nat. Commun.5 3974
Hinterleitner B, Knapp I, Poneder M, Shi Y, Muller H, Eguchi G, Eisenmenger-Sittner C, Stoger-Pollach M, Kakefuda Y, Kawamoto N, Guo Q, Baba T, Mori T, Ullah S, Chen X Q and Bauer E 2019 Nature576 85
Zhu H, Mao J, Li Y, Sun J, Wang Y, Zhu Q, Song Q, Zhou J, Fu Y, He R, Tong T, Liu Z, Ren W, Wang Z, Luo J, Sotnikov A, Bao J, Nielsch K, Chen G, Singh D J and Ren Z 2019 Nat. Commun.10 270
McGuire M A, Christianson A D, Sefat A S, Sales B C, Lumsden M D, Jin R, Payzant E A, Mandrus D, Luan Y, Keppens V, Varadarajan V, Brill J W, Hermann R P, Sougrati M T, Grandjean F and Long G J 2008 Phys. Rev. B78 094517
2021, Vol. 38 
