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相关作者:朱英豪詹倩于荣张腾朱静更多>>
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外延BiFeO_3薄膜的TEM显微结构表征被引量:6
2012年
外延BiFeO3薄膜中丰富的结构与特殊的性能一直是近年来研究的热点。显微结构的研究不仅可以帮助人们进一步认识BiFeO3的结构信息,还可以帮助人们深入了解BiFeO3结构与性能间的关系,开拓新的应用领域。本文利用球差校正高分辨透射电子显微镜对外延在LaAlO3过渡层/Si基底上的BiFeO3薄膜进行研究。通过原子尺度的定量分析,在应力状态复杂区域观察到类菱方相、应力释放后恢复的菱方相以及拉应力状态下c/a值小于1的类菱方相,并在该区域观察到109°铁电畴,且畴间存在4.4°的畸变夹角。还观察到比较大的c/a比。
张腾于荣朱静詹倩朱英豪
关键词:多铁性高分辨电子显微术铁电畴
Experimental measurements and theoretical calculations of the atomic structure of materials with subangstrom resolution and picometer precision被引量:4
2014年
Lattice defects are unavoidable structural units in materials and play an important role in determining material properties.Compared with the periodic structure of crystals,the atomic configurations of the lattice defects are determined by the coordinates of a large number of atoms,making it difficult to experimentally investigate them.In computational materials science,multiparameter optimization is also a difficult problem and experimental verification is usually required to determine the possibility of obtaining the structure and properties predicted by calculations.Using our recent studies on oxide surfaces as examples,we introduce the method of integrated aberration-corrected electron microscopy and the first-principles calculations to analyze the atomic structure of lattice defects.The atomic configurations of defects were measured using quantitative high-resolution electron microscopy at subangstrom resolution and picometer precision,and then the electronic structure and dynamic behavior of materials can be studied at the atomic scale using the firstprinciples calculations.The two methods complement each other and can be combined to increase the understanding of the atomic structure of materials in both the time and space dimensions,which will benefit materials design at the atomic scale.
Jing ZhuRong Yu
关键词:材料性能原子结构计算材料学高分辨电子显微镜电子显微镜分析
Softest elastic mode governs materials hardness被引量:3
2014年
Single-crystal elastic constants and mechanical hardness of covalent and ionic crystals have been studied using first-principles calculations.The results show that the hardness is dominated by the softest elastic mode,not by the averaged elastic moduli as generally assumed.It reveals that the mechanical stability and anisotropy play an important role in determining the hardness of materials.The concept is then employed in designing hard alloys.By strengthening the softest elastic mode of tungsten carbide,which is the primary component in industrial hard alloys,we show that the carbide can be made even harder by alloying with nitrogen or rhenium via Fermi-level tuning.
Rong YuQi ZhangQian Zhan
关键词:第一性原理计算机械稳定性管辖离子晶体弹性模量
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