Electronic And Magnetic Properties Of NdVSb3: A First Principles Study

被引：1
|
作者：
Sandeep [1 ]
Ghimire, M. P. [2 ]
Rai, D. P. [1 ]
Shankar, A. [1 ]
Mohanty, A. K.
Ernst, Arthur [3 ]
Deka, D. [4 ]
Rahman, A. [4 ]
Thapa, R. K. [1 ]
机构：
[1] Mizoram Univ, Dept Phys, Aizawl 796009, Mizoram, India
[2] Nepal Acad Sci & Technol, Fac Sci, Kathmandu 3323, Nepal
[3] Max Planck Inst Mikrostrukturphys, D-06120 Halle, Germany
[4] Gauhati Univ, Dept Phys, Gauhati 781014, Assam, India
来源：
SOLID STATE PHYSICS, PTS 1 AND 2 | 2012年 / 1447卷
关键词：
Rare-earth antimonides; DFT; DOS; Magnetic moment; LN=LA-ND; SM;
D O I：
10.1063/1.4710417
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The electronic density of states (DOS) and magnetic moments of rare-earth antimonides (NdVSb3) has been studied by the first principles full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT). For the exchange-correlation potential, the GGA+U method is used. The effective moments of NdVSb3 was found to be 4.50 mu(B). The exchange-splittings of V-3d state electrons and 4f-states of Nd atoms were analyzed to explain the magnetic nature of these systems. The V atom plays a significant role on the magnetic properties due to the hybridization between V-3d and Sb-5p state orbitals. The results obtained are compared and found to be in qualitative agreement with the available results.
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页码：1153 / +
页数：2
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