Disorder and Itinerant Magnetism in Full Heusler Pd_(2)TiIn  

作　　者：Guanhua Qin Wei Ren David J.Singh Bing-Hua Lei 秦冠华;任伟;David J.Singh;雷兵华(Physics Department,Shanghai Key Laboratory of High Temperature Superconductors,State Key Laboratory of Advanced Special Steel,MGI and ICQMS,Shanghai University,Shanghai 200444,China;Department of Physics and Astronomy,University of Missouri,Columbia,MO 65211,USA;Department of Chemistry,University of Missouri,Columbia,MO 65211,USA)

机构地区：[1]Physics Department,Shanghai Key Laboratory of High Temperature Superconductors,State Key Laboratory of Advanced Special Steel,MGI and ICQMS,Shanghai University,Shanghai 200444,China [2]Department of Physics and Astronomy,University of Missouri,Columbia,MO 65211,USA [3]Department of Chemistry,University of Missouri,Columbia,MO 65211,USA

出　　处：《Chinese Physics Letters》2021年第1期78-85,共8页中国物理快报（英文版）

基　　金：Supported by the National Natural Science Foundation of China(Grant Nos.51861145315,51672171,12074241and 51911530124);the Department of Energy,Basic Energy Sciences(Award DE-SC0019114)for work at the University of Missouri;the Shanghai Municipal Science and Technology Commission Program(Grant No.19010500500);the China Scholarship Council(CSC);the Independent Research Project of State Key Laboratory of Advanced Special Steel and Shanghai Key Laboratory of Advanced Ferrometallurgy at Shanghai University;the State Key Laboratory of Solidification Processing in NWPU(Grant No.SKLSP201703)。

摘　　要：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.

关 键 词：compound. PRINCIPLES CUBIC 

分 类 号：TB34[一般工业技术—材料科学与工程]