化学成分定制Sm3+/Ce4+共掺杂CaCu3Ti4O12陶瓷，以改善微电子器件的介电性能

IF 4.9 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Structure Pub Date : 2026-05-15 Epub Date: 2026-02-10 DOI:10.1016/j.molstruc.2026.145649

M. Ehthishamul Haque, M. Jose

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引用次数: 0

摘要

本研究提出了Ca1-xSmxCexCu3Ti4O12 （x = 0 ~ 0.09）陶瓷的固态合成，通过Sm3+/Ce4+共掺杂实现了高介电常数（1 kHz时ε′~ 17,937）和低损耗（tan δ ~ 0.250）。XRD证实了相纯度，而Rietveld精细化提供了详细的结构见解。XPS验证了氧化态，SEM显示掺杂后晶粒尺寸减小。x = 0.09样品表现出优异的频率稳定性，在10 kHz时ε′~ 12,838和tan δ ~ 0.084。Nyquist分析表明，该材料具有较高的晶界电阻（Rgb = 1.13×106 Ω）和0.489 eV的活化能，表明Rgb的增强与tan δ的降低存在相关性。巨大的介电响应归因于内阻挡层电容器（IBLC）机制，其中绝缘晶界和导电晶粒有助于高ε '。这些发现表明Sm3+/Ce4+共掺杂有效地优化了介电性能，使这些陶瓷具有电容应用前景。

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Chemical composition tailored Sm3+/Ce4+ co–doped CaCu3Ti4O12 ceramics to improve dielectric properties for microelectronic devices

This study presents the solid-state synthesis of Ca_1-xSm_xCe_xCu₃Ti₄O₁₂ (x = 0 to 0.09) ceramics, achieving high dielectric permittivity (ε′ ∼17,937 at 1 kHz) and low loss (tan δ ∼0.250) through Sm³⁺/Ce⁴⁺ co-doping. XRD confirmed phase purity, while Rietveld refinement provided detailed structural insights. XPS verified oxidation states, and SEM revealed reduced in grain size with doping. The x = 0.09 sample exhibited excellent frequency stability, with ε′ ∼12,838 and tan δ ∼0.084 at 10 kHz. Nyquist analysis showed high grain boundary resistance (R_gb = 1.13×10⁶ Ω) and an activation energy of 0.489 eV, suggesting a correlation between enhanced R_gb and reduced tan δ. The colossal dielectric response is attributed to the internal barrier layer capacitor (IBLC) mechanism, in which insulating grain boundaries and conductive grains contribute to the high ε′. These findings demonstrate that Sm³⁺/Ce⁴⁺ co-doping effectively optimizes dielectric properties, making these ceramics promising for capacitive applications.

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来源期刊

Journal of Molecular Structure 化学-物理化学

CiteScore

7.10

自引率

15.80%

发文量

2384

审稿时长

45 days

期刊介绍： The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.