Theoretical study of doped Tl2Mn2O7 and Tl2Mn2O7 under pressure

被引:28
作者
De Raychaudhury, Molly [1 ]
Saha-Dasgupta, T.
Sarma, D. D.
机构
[1] Indian Assoc Cultivat Sci, Kolkata 700032, W Bengal, India
[2] SN Bose Natl Ctr Basic Sci, Kolkata 700098, W Bengal, India
[3] Indian Inst Sci, Solid State & Struct Chem Unit, Bangalore 560012, Karnataka, India
关键词
D O I
10.1103/PhysRevB.75.014443
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Using first-principles density-functional-based calculations, we study the effect of doping and pressure on the manganese-based pyrochlore compound, Tl2Mn2O7, which exhibits colossal magnetoresistive behavior. The theoretical study is motivated by the counterintuitive experimental observation of suppression of the ferromagnetic transition temperature upon application of pressure and its enhancement upon substitution of Mn by a moderate amount of nonmagnetic Sb ion. We also attempt to resolve the issue related to crystal structure changes that may occur upon application of pressure.
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页数:9
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