Electron-energy-loss spectra of NiO

被引：17

作者：

Dobysheva, LV ^{[1
]}

Potapov, PL

Schryvers, D

机构：

[1] Russian Acad Sci, Ural Branch, Phys Tech Inst, Izhevsk 426001, Russia

[2] Univ Antwerp, RUCA, EMAT, B-2020 Antwerp, Belgium

来源：

PHYSICAL REVIEW B | 2004年 / 69卷 / 18期

关键词：

D O I：

10.1103/PhysRevB.69.184404

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electron-energy-loss spectra of NiO have been calculated by the ab initio full-potential linearized augmented plane-wave method within the LDA+U approximation and compared with experimental spectra obtained in transmission electron microscopy. The results of standard calculation schemes generally agree with the experimental O K edge of NiO, though the calculated spectrum looks a little contracted along the energy axis in comparison with the experimental one. However, reducing the magnetic moment at Ni atoms by a temperaturelike parameter allows us to obtain a solution which fits very closely to experiment. Possible reasons for the disagreement of standard calculation with experiment are discussed.

引用

页码：184404 / 1

页数：6

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