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	Atomic distribution and local structure in charge-ordered La1/3Ca2/3MnO3
	Tang, FL ; Zhang, X
	2010-05-10 ; 2010-05-10
关键词	COMPUTER-SIMULATION WIGNER-CRYSTAL BI-STRIPE TEMPERATURE MANGANITES LA0.5CA0.5MNO3 YBA2CU4O8 TRANSPORT PHYSICS Physics, Condensed Matter
中文摘要	Atomic simulation has been performed to investigate atomic distribution and local structure in La1/3Ca2/3MnO3. It is found that La/Ca ordering along with Mn3+ and Mn4+ stripes is more energetically favorable than La/Ca disordering at low temperature (0-50 K). Apart from the Wigner-stripe and bistripe models, the simulation reveals another possible and energetically stable charge-ordered model: a layer-stripe model with La3+ and Mn3+ ions forming a LaMnO3-like local structure, whereas Ca2+ and Mn4+ form a CaMnO3-like local structure. It is also found that in these three stripe models, especially in the layer-stripe model, the local structure is very different from its average structure. It is expected that such cation distribution and local structure may be a compositional and structural representation of phase separation in doped manganites.
语种	英语 ; 英语
出版者	AMERICAN PHYSICAL SOC ; COLLEGE PK ; ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
内容类型	期刊论文
源URL	[http://hdl.handle.net/123456789/21603]
专题	清华大学
推荐引用方式 GB/T 7714	Tang, FL,Zhang, X. Atomic distribution and local structure in charge-ordered La1/3Ca2/3MnO3[J],2010, 2010.
APA	Tang, FL,&Zhang, X.(2010).Atomic distribution and local structure in charge-ordered La1/3Ca2/3MnO3..
MLA	Tang, FL,et al."Atomic distribution and local structure in charge-ordered La1/3Ca2/3MnO3".(2010).

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