论文标题
LA(CR0.2MN0.2FE0.2CO0.2NI0.2)O3膜中无序键网络的意外结晶均匀性
Unexpected crystalline homogeneity from the disordered bond network in La(Cr0.2Mn0.2Fe0.2Co0.2Ni0.2)O3 films
论文作者
论文摘要
在钙钛矿氧化物中设计和理解功能性电子和磁性,需要控制和调整下面的晶体晶格。在这里,我们报告了LA(CR0.2MN0.2FE0.2FE0.2CO0.2NI0.2)O3在SRTIO3(001)上生长的单一晶状体熵稳定的单晶熵稳定钙钛矿膜的结构,包括氧和阳离子位置。母体材料范围从正交材料(LACRO3,LAMNO3和LAFEO3)到菱形(Lacoo3和Lanio3),以及第一原理计算表明,这些结构基序的能量几乎是变质的,应高度扭曲的位置到现场。尽管在B点sublattice上存在这种非凡的局部构型障碍,但我们发现了一种具有意外的宏观晶体同质性的结构,并具有清晰的正交晶胞细胞,其方向证明其方向是由膜上生长的(La0.3sr0.7)(la0.3sr0.7)(al0.65)(al0.65)(al0.65)(al0.65)(l0.65)(ls and and)控制的菌株和晶体结构。 (110)。此外,对晶胞中原子位置的定量表明,正骨变形很小,接近LACRO3,这可能是由平均疾病和平均离子半径的组合驱动的。这是了解通过受控配置复杂性设计新的水晶图案和调整功能属性的规则的第一步。
Designing and understanding functional electronic and magnetic properties in perovskite oxides requires controlling and tuning the underlying crystal lattice. Here we report the structure, including oxygen and cation positions, of a single-crystal, entropy stabilized perovskite oxide film of La(Cr0.2Mn0.2Fe0.2Co0.2Ni0.2)O3 grown on SrTiO3 (001). The parent materials range from orthorhombic (LaCrO3, LaMnO3 and LaFeO3) to rhombohedral (LaCoO3 and LaNiO3), and first principles calculations indicate that these structural motifs are nearly degenerate in energy and should be highly distorted site-to-site. Despite this extraordinary local configurational disorder on the B-site sublattice, we find a structure with unexpected macroscopic crystalline homogeneity with a clear orthorhombic unit cell, whose orientation is demonstrated to be controlled by the strain and crystal structure of the substrate for films grown on (La0.3Sr0.7)(Al0.65Ta0.35)O3 (LSAT) and NdGaO3 (110). Furthermore, quantification of the atom positions within the unit cell reveal that the orthorhombic distortions are small, close to LaCrO3, which may be driven by a combination of disorder averaging and the average ionic radii. This is the first step towards understanding the rules for designing new crystal motifs and tuning functional properties through controlled configurational complexity.