Role of Te in the low-dimensional multiferroic material FeTe_2O_5Br

Jayita Chakraborty; Nirmal Ganguli; Tanusri Saha-Dasgupta; Indra Dasgupta

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Role of Te in the low-dimensional multiferroic material FeTe_2O_5Br

机译：Te在低维多铁性材料FeTe_2O_5Br中的作用

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Using first principles density functional calculations, we study the electronic structure of the low-dimensional multiferroic compound FeTe_2O_5Br to investigate the origin of the magnetoelectric (ME) effect and the role of Te ions in this system. We find that without magnetism, even in the presence of Te 5s lone pairs, the system remains centrosymmetric due to the antipolar orientation of the lone pairs. Our study shows that the exchange striction within the Fe tetramers as well as between them is responsible for the ME effect in FeTe_2O_5Br. We also find that the Te~(4+) ions play an important role in the intertetramer exchange striction as well as contributing to the electric polarization in FeTe_2O_5Br, once the polarization is triggered by the magnetic ordering.

机译：使用第一性原理密度泛函计算，我们研究了低维多铁化合物FeTe_2O_5Br的电子结构，以研究磁电（ME）效应的起源以及Te离子在该系统中的作用。我们发现没有磁性，即使存在Te 5s孤对，由于孤对的反极性取向，系统仍保持中心对称。我们的研究表明，Fe四聚体内部以及它们之间的交换严格是造成FeTe_2O_5Br的ME效应的原因。我们还发现，一旦由磁有序触发极化，Te〜（4+）离子在四聚体间的交换收缩中起重要作用，并有助于FeTe_2O_5Br中的极化。

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来源
《Physical review》 |2013年第9期|094409.1-094409.7|共7页
作者
Jayita Chakraborty; Nirmal Ganguli; Tanusri Saha-Dasgupta; Indra Dasgupta;
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作者单位

Department of Solid State Physics, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, India;

Faculty of Science and Technology and MESA + Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede, The Netherlands;

S. N. Bose National Center for Basic Sciences, JD-Ⅲ, Salt Lake City, Kolkata 700098, India;

Department of Solid State Physics, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, India;

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正文语种 eng
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electron density of states and band structure of crystalline solids; exchange and superexchange interactions; magnetomechanical and magnetoelectric effects, magnetostriction; ferroelectricity and antiferroelectricity;

机译：态固体的电子态密度和能带结构;交换和超级交换互动;磁机械和磁电效应;磁致伸缩;铁电和反铁电;

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1. Multiferroic FeTe_2O_5Br: Alternating spin chains with frustrated interchain interactions [J] . M. Pregelj, H. O. Jeschke, H. Feldner, Physical review . 2012,第5期

机译：多铁性FeTe_2O_5Br：交替的自旋链与受阻的链间相互作用
2. Evolution of magnetic and crystal structures in the multiferroic FeTe_2O_5Br [J] . M. Pregelj, P. Jeglic, A. Zorko, Physical review . 2013,第14期

机译：多铁性FeTe_2O_5Br中的磁性和晶体结构的演变
3. Infrared phonon modes in multiferroic single-crystal FeTe_2O_5Br [J] . K. H. Miller, X. S. Xu, H. Berger, Physical review . 2013,第22期

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4. Effective Material Properties in Multiferroic Composite Materials by a Galerkin BEM [C] . Michael Wiinsche, Jan Sladek, Vladimir Sladek International Conference on Structural and Physical Aspects of Construction Engineering . 2017

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机译：低尺寸材料和红外光电检测的最新架构
7. Role of Te in low-dimensional multiferroic material FeTe2O5Br [O] . Chakraborty, J., Ganguli, N., Saha-Dasgupta, Tanusri, 2013

机译：Te在低维多铁性材料FeTe2O5Br中的作用

Role of Te in the low-dimensional multiferroic material FeTe_2O_5Br

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