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dc.contributor.author胡文英
dc.contributor.author曾雉
dc.contributor.author郑庆祺
dc.contributor.author黄美纯
dc.date.accessioned2011-06-22T01:15:02Z
dc.date.available2011-06-22T01:15:02Z
dc.date.issued1995-02
dc.identifier.citation物理学报,1995(2):273-279zh_CN
dc.identifier.issn1000-3290
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/9709
dc.description.abstract【中文摘要】 采用局域自旋密度近似(LSDA)下的线性丸盒轨道原子球近似(LMTO-ASA)能带方法,通过计入在位库仑作用U的方法来考虑电子间的多体关联作用(简写成LSDA+U方法),同时还进一步使用了平均占有数近似.用这种方法对过渡金属氧化物NiO和MnO进行了计算,结果表明如果仅着眼于考虑磁性则可以采用本文中的近似方法,但当涉及能隙问题时,则必须考虑不同m态的不同占有情况. 【英文摘要】 The many-body correlation interaction between electrons has been considered by introducing the on-site Coulomb interaction in the local-spin-density approximation LMTO-ASA band method (LSDA+U). A further average occupied number approximation is used to study the magnetic moments of 3d-transition-metal oxides NiO and MnO in the LMTO-ASA method. An effective improvement of the agreement of magnetic moment between theory and experiment is obtained. The calculations reveal that it is necessary to consider the d...zh_CN
dc.description.sponsorship国家自然科学基金;磁学国家重点实验室;中国科学院理论物理特别支持费资助的课题.zh_CN
dc.language.isozhzh_CN
dc.publisher《物理学报》编辑部zh_CN
dc.title电子间关联作用对过渡金属氧化物磁矩的影响zh_CN
dc.title.alternativeEFFECT OF MANY-BODY CORRELATION INTERACTIONON THE MAGNETIC MOMENTS OF3d-TRANSITION-METAL OXIDESzh_CN
dc.typeArticlezh_CN


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