Theoretical investigation of MnFe2O4

被引：0

作者：

机构：

[1] Elfalaky, A.

[2] Soliman, S.

来源：

Soliman, S. (salma@zu.edu.eg) | 1600年 / Elsevier Ltd卷 / 580期

关键词：

Generalized gradient approximation (GGA) and GGA + U (U is the Hubbard parameter) were applied to scrutinize the electronic structure and magnetic properties of the spinel ferrite MnFe2O4. Compression between GGA and GGA + U calculations were carried out. Oxygen position (z); total unit crystal spin magnetic moment; and lattice parameters were optimized. The optimized structure parameters are in good agreement with the experimental values. The experimental results described by the GGA + U calculations are better than the normal frame work. A new method for calculating U has been introduced. The calculations show that Mn ferrite has cubic structure with ordered spins. The compound should experience insulating behaviors which is experimentally observed. Such insulating behavior and spin ordering increase the ability of using Mn ferrite in high frequency applications. The moments are predominantly due to the ionic model behaviors for this compound. High spin state is favorable for the two cations Mn and Fe. From the anomalous explanation of DOS it is observed that; a ferrimagnetic spin current between Fe-3d and Mn-3d through O-2p is yielded. The flat bands; which are the more atomic-like lead to a high density of states and magnetic instability of local moment character. The effect of decreasing octahedral point group from Oh to D4h; C4v and C3v were carried out. The octahedral deformation has not been found in Mn ferrite. Total picture study for Hubbard parameter U has been carried out where accurate value for U was determined by comparing the energy gap with that obtained experimentally. Correlated behavior was proved for Manganese ferrite. © 2013 Elsevier B.V. All rights reserved;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Journal article (JA)

引用

共 50 条

[1] Theoretical investigation of MnFe2O4
Elfalaky, A.
Soliman, S.
JOURNAL OF ALLOYS AND COMPOUNDS, 2013, 580 : 401 - 406
[2] Experimental and Theoretical Investigation of the Synthesis, Electronic and Magnetic Properties of MnFe2O4 Spinel Ferrite
Aghrich, Khaoula
Mtougui, Sara
Goumrhar, Faycal
Abdellaoui, Mustapha
Mamouni, Nabila
Fekhaoui, Mohammed
El Moutaouakil, Amine
Mounkachi, Omar
ENERGIES, 2022, 15 (22)
[3] Fabrication of MnFe2O4 and Ni: MnFe2O4 nanoparticles for ammonia gas sensor application
Deivatamil, D.
Mark, John Abel Martin
Raghavan, Thiruneelakandan
Jesuraj, Joseph Prince
INORGANIC CHEMISTRY COMMUNICATIONS, 2021, 123
[4] Thermal behavior of MnFe2O4 and MnFe2O4/C nanocomposite synthesized by a solvothermal method
Stoia, Marcela
Muntean, Eliza
Pacurariu, Cornelia
Mihali, Ciprian
THERMOCHIMICA ACTA, 2017, 652 : 1 - 8
[5] ON SPONTANEOUS MAGNETIZATION OF MNFE2O4
LOTGERING, FK
PHILIPS RESEARCH REPORTS, 1965, 20 (03): : 320 - +
[6] Compressibilities of MnFe2O4 polymorphs
Lijin Ye
Shuangmeng Zhai
Xiang Wu
Chaowen Xu
Ke Yang
Yuji Higo
Physics and Chemistry of Minerals, 2015, 42 : 569 - 577
[7] MOSSBAUER EFFECT IN MNFE2O4
KONIG, U
SOLID STATE COMMUNICATIONS, 1971, 9 (07) : 425 - &
[8] Compressibilities of MnFe2O4 polymorphs
Ye, Lijin
Zhai, Shuangmeng
Wu, Xiang
Xu, Chaowen
Yang, Ke
Higo, Yuji
PHYSICS AND CHEMISTRY OF MINERALS, 2015, 42 (07) : 569 - 577
[9] Superparamagnetic Properties of MnFe2O4 Nanoparticles
Lee, Seung Wha
Lee, Jae-Gwang
Chae, Kwang Pyo
Kwon, Woo Hyun
Kim, Chul Sung
JOURNAL OF THE KOREAN MAGNETICS SOCIETY, 2009, 19 (02): : 57 - 61
[10] MAGNON DISPERSION MEASUREMENT IN MNFE2O4
RAKHECHA, VC
SATYAMUR.NS
SRINIVASAN, BS
MADHAVRA.L
PHYSICS LETTERS A, 1972, A-40 (02) : 101 - +

← 1 2 3 4 5 →