层状结构CaLaAl3O7陶瓷的化学键参数及微波介电性能

IF 5.1 2区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Ceramics International Pub Date : 2025-06-01 DOI:10.1016/j.ceramint.2025.02.247

Hongcheng Yang , Xier Huang , Yixuan Zheng , Jin Zhang , Enzhu Li

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引用次数: 0

摘要

在1575℃下烧结得到了单相CaLaAl3O7陶瓷，并研究了化学键对层结构稳定性的敏感性。在1350 ~ 1550℃的烧结温度范围内，次级相为LaAlO3和CaAl2O4，导致了相对密度、介电常数和质量因子的变化。作为铝酸盐微波介电陶瓷的候选材料，纯CaLaAl3O7的微波介电性能为：r = 6.26, Q × f = 22750 GHz, τf =−39.8 ppm/°C。根据化学键特性和阳离子极化的计算，Ca/La位点的修饰可能是影响ir的主要因素。Al(1)-O和Al(2)-O键主要贡献晶格能和键能，表明[AlO4]框架对晶体结构稳定性起着至关重要的作用。调整CaLaAl3O7陶瓷的层结构和优化介电损耗是设计替代Al的前提。本研究的系统结果表明，确定化学键对结构稳定性的贡献是调整三元铝酸盐固体晶体结构和性能的关键指标。

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Chemical bond parameters and microwave dielectric properties of CaLaAl3O7 ceramics with layer structure

Sintered at 1575 °C, the single phase CaLaAl₃O₇ ceramics were obtained and investigated on the sensitivity of chemical bond to the stability of layer structure. LaAlO₃ and CaAl₂O₄ are the secondary phases in the sintering temperature range of 1350∼1550 °C, contributing to the variation of relative density, dielectric constant and quality factors. As a candidate of microwave dielectric ceramics of aluminate, pure CaLaAl₃O₇ possesses the microwave dielectric properties of ɛ_r = 6.26, Q × f = 22750 GHz, τ_f = −39.8 ppm/°C. Based on the calculation of chemical bond traits and cation polarization, modification of Ca/La site may have primary influence on ɛ_r. Al(1)-O and Al(2)-O bonds make mainly contribution on lattice energy and bond energy, indicating [AlO4] frame paly crucial role on crystal structure stability. It is prior to design substitution for Al to adjust the layer structure and optimize the dielectric loss for CaLaAl₃O₇ ceramics. The systematical results of this study establish that determination of contributions of chemical bond to structure stability is a key dial for tuning crystal structure and properties in ternary aluminate solids.

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来源期刊

Ceramics International 工程技术-材料科学：硅酸盐

CiteScore

9.40

自引率

15.40%

发文量

4558

审稿时长

25 days

期刊介绍： Ceramics International covers the science of advanced ceramic materials. The journal encourages contributions that demonstrate how an understanding of the basic chemical and physical phenomena may direct materials design and stimulate ideas for new or improved processing techniques, in order to obtain materials with desired structural features and properties. Ceramics International covers oxide and non-oxide ceramics, functional glasses, glass ceramics, amorphous inorganic non-metallic materials (and their combinations with metal and organic materials), in the form of particulates, dense or porous bodies, thin/thick films and laminated, graded and composite structures. Process related topics such as ceramic-ceramic joints or joining ceramics with dissimilar materials, as well as surface finishing and conditioning are also covered. Besides traditional processing techniques, manufacturing routes of interest include innovative procedures benefiting from externally applied stresses, electromagnetic fields and energetic beams, as well as top-down and self-assembly nanotechnology approaches. In addition, the journal welcomes submissions on bio-inspired and bio-enabled materials designs, experimentally validated multi scale modelling and simulation for materials design, and the use of the most advanced chemical and physical characterization techniques of structure, properties and behaviour. Technologically relevant low-dimensional systems are a particular focus of Ceramics International. These include 0, 1 and 2-D nanomaterials (also covering CNTs, graphene and related materials, and diamond-like carbons), their nanocomposites, as well as nano-hybrids and hierarchical multifunctional nanostructures that might integrate molecular, biological and electronic components.