Tunable Cobalt Vacancies and Related Properties in LaCoxAs2

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	Tunable Cobalt Vacancies and Related Properties in LaCoxAs2
	Shen, SJ ; Wang, G ; Jin, SF ; Huang, QZ ; Ying, TP ; Li, DD ; Lai, XF ; Zhou, TT ; Zhang, H ; Lin, ZP ; Wu, XZ ; Chen, XL
刊名	CHEMISTRY OF MATERIALS
	2014
卷号	26 期号:21 页码:6221
ISSN号	0897-4756
通讯作者	Wang, G (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Res & Dev Ctr Funct Crystals, Beijing 100190, Peoples R China.
中文摘要	The origin of transition metal vacancies and their effects on the properties of ThCr2Si2-type compounds have been less studied and poorly understood. Here we carefully investigate the structure, physical properties, and electronic structure for a series of lanthanum cobalt arsenides with nominal composition of LaCoxAs2 (1.6 = x = 2.1). It is revealed that the occupancy of Co can be tuned between 1.98(1) and 1.61(1). The structural analyses based on X-ray and neutron diffractions show the existence of Co vacancies results from charge balance due to the formation of bond between AsAs. These Co vacancies affect the magnetic and electrical properties greatly, adjusting the Curie temperature from 205 to 47 K and increasing the resistivity by more than 100%. First-principles calculations indicate that the Co vacancies weaken the spin polarization and reduce the density of states at the Fermi level, resulting in decreased Curie temperature and increased resistivity, respectively. Our results address the importance of transition metal vacancies in ThCr2Si2-type materials and offer a reliable route to tune the magnetism of ThCr2Si2-type structure.
资助信息	National Natural Science Foundation of China [51322211, 90922037]; Strategic Priority Research Program (B) of the Chinese Academy of Sciences [XDB07020100]; Beijing Nova Program [2011096]; K. C. Wong Education Foundation, Hong Kong
语种	英语
公开日期	2015-04-14
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/58955]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Shen, SJ,Wang, G,Jin, SF,et al. Tunable Cobalt Vacancies and Related Properties in LaCoxAs2[J]. CHEMISTRY OF MATERIALS,2014,26(21):6221.
APA	Shen, SJ.,Wang, G.,Jin, SF.,Huang, QZ.,Ying, TP.,...&Chen, XL.(2014).Tunable Cobalt Vacancies and Related Properties in LaCoxAs2.CHEMISTRY OF MATERIALS,26(21),6221.
MLA	Shen, SJ,et al."Tunable Cobalt Vacancies and Related Properties in LaCoxAs2".CHEMISTRY OF MATERIALS 26.21(2014):6221.