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中文摘要：
纳米铁电薄膜与其体材料相比，在性质上差异很大，当其尺寸大小降低到纳米范围时，对其相变行为来说，其表面及尺寸效应至关重要。其铁电性能可能完全受到抑制。相变过程形成的铁电畴的形态也由于表面效应而与体材料有很大的不同。铁电薄膜尺寸效应的理论研究一般分为两方面唯象方法和微观方法。微观方法是利用第一性原理的计算预报铁电薄膜的性能；唯象方法是以Landau-Ginzburg理论为基础，并考虑表面效应对自由能的影响，根据体材料的性能参数来预测铁电薄膜的性质。在本项研究中，我们研发新的唯象模型。建立随时间演化的Landau-Ginzburg方程，并对其进行分叉分析确定相变温度随尺寸的变化。首次利用协同学的方法进行非线性分析确定铁电畴的形态。我们也计划用分子动力学模拟和第一性原理的计算预测超薄薄膜的铁电相变性能。在此基础上，制备不同尺寸和表面状态的铁电薄膜并测定其居里温度等特性，证明理论预报的正确性。
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期刊论文
An interface crack between two dissimilar functionally graded piezoelectric/piezomagnetic material h
The behavior of two parallel interface cracks in magneto-electro-elastic materials under an anti-pla
The first-principles study of ferroelectric behaviours of PbTiO3/SrTiO3 and BaTiO3/SrTiO3 superlatti
Controlling dielectric and pyroelectric properties of compositionally graded ferroelectric rods by a
First-principles study of the electronic structure and the associated magnetism of carbon-doped TiO2
Preparation and electric characteristics of gadolinium-substituted bismuth titanate ferroelectric th
Simulation of interface dislocations effect on polarization distribution of ferroelectric thin films
The scattering of the harmonic anti-plane shear stress waves by two collinear interface cracks betwe
Scattering of anti-plane shear waves in a functionally graded material strip with an off-center vert
Dynamic behavior of two parallel symmetry cracks in magneto-electro-elastic composites under harmoni
Near-infrared luminescent lanthanide (Er, Nd) complexes covalently bonded to a terpyridine-functiona
Non-local theory solution for an anti-plane shear permeable crack in functionally graded piezoelectr
First-principles study of structural, elastic, electronic, and optical properties of orthorhombic Bi
The scattering of harmonic elastic anti-plane shear waves by two collinear cracks in anisotropic mat
Novel luminescent lanthanide complexes covalently linked to a terpyridine-functionalized silica netw
Effects of strain gradient on charge offsets and pyroelectric properties of ferroelectric thin films
Investigation of behavior of Mode-I interface crack in piezoelectric materials by using Schmidt meth
An interface crack for a functionally graded strip sandwiched between two homogeneous layers of fini
First-principles study of structural, elastic, electronic, and optical properties of hexagonal BiAlO
Optimization of holographic storage with modulated recording beams in a thick polyvinyl alcohol/acry
Effect of the parameters on diffraction efficiency after thermal fixing for transmission geometry ho
Dynamic behavior of two collinear interface cracks between two dissimilar functionally graded piezoe
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