Defect-mediated structural and magnetic behavior of BaTi1-xFexO3 (0.02 ≤ x ≤ 0.10) synthesized via sol-gel method

Results in Surfaces and Interfaces Pub Date : 2025-08-01 DOI:10.1016/j.rsurfi.2025.100630

Nilesh Kumar Prasad, Banlam Kupar Challam, Sompriti Bora, Satya Prakash Pati

{"title":"Defect-mediated structural and magnetic behavior of BaTi1-xFexO3 (0.02 ≤ x ≤ 0.10) synthesized via sol-gel method","authors":"Nilesh Kumar Prasad, Banlam Kupar Challam, Sompriti Bora, Satya Prakash Pati","doi":"10.1016/j.rsurfi.2025.100630","DOIUrl":null,"url":null,"abstract":"<div><div>This work investigates the defect-mediated multifunctional behaviour of iron-doped barium titanate (BaTi1-xFexO3; 0.02 ≤ x ≤ 0.10), synthesized via the sol-gel method. Rietveld refinement confirms the retention of the tetragonal perovskite phase (P4mm), with a notable in-plane lattice expansion from x = 0.02 to 0.08, attributed to Fe3+ substitution and oxygen vacancy formation. Raman and FTIR analyses reveal phonon broadening and Ti-O bond distortions due to defect-phonon coupling. Thermal analysis shows <4 % weight loss, indicating high thermal stability. Magnetic measurements exhibit weak room-temperature ferromagnetism and enhanced magnetization at 3 K (Ms ≈ 2.00673 emu/g), with a Curie-Weiss temperature of θ ≈ 434 K, signifying short-range ferrimagnetic interactions. Mössbauer spectroscopy confirms Fe3+ in symmetric (93.01 %) and vacancy-associated distorted (6.99 %) sites. These findings demonstrate the efficacy of Fe doping in tailoring structure and magnetism via defect engineering, positioning BaTiO3 as a viable lead-free candidate for magnetoelectric and spintronic applications.</div></div>","PeriodicalId":21085,"journal":{"name":"Results in Surfaces and Interfaces","volume":"20 ","pages":"Article 100630"},"PeriodicalIF":0.0000,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Results in Surfaces and Interfaces","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S266684592500217X","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 0

Abstract

This work investigates the defect-mediated multifunctional behaviour of iron-doped barium titanate (BaTi_1-xFe_xO₃; 0.02 ≤ x ≤ 0.10), synthesized via the sol-gel method. Rietveld refinement confirms the retention of the tetragonal perovskite phase (P4mm), with a notable in-plane lattice expansion from x = 0.02 to 0.08, attributed to Fe³⁺ substitution and oxygen vacancy formation. Raman and FTIR analyses reveal phonon broadening and Ti-O bond distortions due to defect-phonon coupling. Thermal analysis shows <4 % weight loss, indicating high thermal stability. Magnetic measurements exhibit weak room-temperature ferromagnetism and enhanced magnetization at 3 K (M_s ≈ 2.00673 emu/g), with a Curie-Weiss temperature of θ ≈ 434 K, signifying short-range ferrimagnetic interactions. Mössbauer spectroscopy confirms Fe³⁺ in symmetric (93.01 %) and vacancy-associated distorted (6.99 %) sites. These findings demonstrate the efficacy of Fe doping in tailoring structure and magnetism via defect engineering, positioning BaTiO₃ as a viable lead-free candidate for magnetoelectric and spintronic applications.

Abstract Image

查看原文本刊更多论文

溶胶-凝胶法合成的BaTi1-xFexO3（0.02≤x≤0.10）的缺陷介导结构和磁性能

本文研究了通过溶胶-凝胶法合成的铁掺杂钛酸钡（BaTi1-xFexO3; 0.02≤x≤0.10）的缺陷介导的多功能行为。Rietveld细化证实了四方钙钛矿相（P4mm）的保留，由于Fe3+取代和氧空位的形成，平面内晶格从x = 0.02扩展到0.08。拉曼和傅里叶红外分析揭示了声子展宽和Ti-O键畸变是由于缺陷-声子耦合造成的。热分析显示失重4%，表明热稳定性高。磁测量结果显示，室温铁磁性弱，在3k （Ms≈2.00673 emu/g）下磁化增强，居里-魏斯温度为θ≈434 K，表明存在短程铁磁相互作用。Mössbauer光谱证实Fe3+在对称（93.01%）和空位相关的扭曲（6.99%）位点。这些发现证明了Fe掺杂在通过缺陷工程定制结构和磁性方面的有效性，将BaTiO3定位为磁电和自旋电子应用中可行的无铅候选材料。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Results in Surfaces and Interfaces

CiteScore

2.70

自引率

0.00%

发文量