Magnetic anisotropy in 5d transition metal–porphyrin molecules

被引：0

作者：

张岩文 ^{[1
]}

葛桂贤 ^{[1
]}

孙海斌 ^{[2
]}

杨觉明 ^{[1
]}

闫红霞 ^{[1
]}

周龙 ^{[1
]}

万建国 ^{[3
]}

王广厚 ^{[3
]}

机构：

[1] Key Laboratory of Ecophysics and Department of Physics, College of Science, Shihezi University

[2] Key Laboratory of Advanced Micro/Nano Functional Materials, Department of Physics and Electronic Engineering,Xinyang Normal University

[3] National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University

来源：

Chinese Physics B | 2021年 / 04期

关键词：

D O I：

暂无

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Single molecule magnets（SMMs） with large magnetic anisotropy energy（MAE） have great potential applications in magnetic recording.Using the first-principles calculations,we investigate the MAE of 5 d transition metal-porphyrin-based SMMs by using the PBE and PBE+U with different U values,respectively.The results indicate that W-P,Re-P,Os-P,and Ir-P possess the considerably large MAE among 5 d TM-P SMMs.Furthermore,the MAE of 5 d TM-P can be facilely manipulated by tensile strain.The reduction of the absolute value of MAE for Ir-P molecule caused by tensile strain makes it easier to implement the writing operation.The decreasing of the occupation number of minority-spin channels of Ir-dx2-y2 orbital leads the MAE to decrease when the tensile strain increases.

引用

页码：589 / 592

页数：4

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