Electronic structure and magnetism of RMn6 Sn6 (R=Tb,Dy)

来源 :浙江大学学报 | 被引量 : 0次 | 上传用户:qq14203853
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
This article reports first-principles band structure calculations for RMn6Sn6 (R=Tb, Dy). The calculation uses the linear muffin-tin orbitals (LMTO) method in the atomic-sphere-approximation (ASA), and yields results showing that both TbMn6Sn6 and DyMn6Sn6 are ferrimagnetic compounds with antiparallel aligned moments of R and Mn atoms. In this research the 4f states of R atoms are treated as localized states, i.e., the hybridization of 4f states with other valence electrons is neglected. The moments of Mn in both compounds were determined to be 2.43 μB and 2.38 μB, respectively. The considerably small additional moments for Mn from the spin-orbit coupling indicates that the spin-orbital coupling is not dominated for Mn atoms. The total moments of Tb and Dy atoms are 10.28 μB and 11.20 μB. All the calculation findings accorded well with experimental results.
其他文献
A new niobate crystal Ba4Na2VNb9O30 was synthesized in BaO-Na2O-V2O5-Nb2O5 system for the first time.Its shape,optical properties,melting point and chemical sta
The sorption behavior of acid dyes onto cetyltrimethylammonium bromide (CTAB)- modified silica as a function of pH in the aqueous medium was studied. Single- an
High precision parameter estimation is very important for control system design and compensation. This paper utilizes the properties of chaotic system for param
The characteristic of combustion wave and its change were analyzed by numerical value calculation and computer simulation,based on the combustion dynamical mode
The topological index F* is defined and obtained by the method of a non-dimensional unit calculation in which three matrices multiply with each other. These mat
Continuous hydrolysis of chitosan was performed in a convoluted fibrous bed bioreactor (CFBB) with immobilized T. reesei. At dilution rate of 0.4 d-1 and substr
The thermochemical kinetics of the rare earth ternary complex Sm(Gly)4Im(ClO4)3*2H2O (Gly-glycine, Im-imidazole) reacting with microbes (escherichia coli, bacil
On the basis of software testing tools we developed for programming languages, we firstly present a new control flowgraph model based on block. In view of the n