Universal Medium-Range Order of Amorphous Metal Oxides

被引:25
|
作者
Nishio, Kengo [1 ]
Miyazaki, Takehide [1 ]
Nakamura, Hisao [1 ]
机构
[1] Natl Inst Adv Ind Sci & Technol, RICS, Nanosyst Res Inst, Tsukuba, Ibaraki 3058568, Japan
关键词
RANDOM PACKINGS; SIMPLE LIQUIDS; GEOMETRY;
D O I
10.1103/PhysRevLett.111.155502
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We propose that the structure of amorphous metal oxides can be regarded as a dual-dense-random-packing structure, which is a superposition of the dense random packing of metal atoms and that of oxygen atoms. Our ab initio molecular dynamics simulations show that the medium-range order of amorphous HfO2, ZrO2, TiO2, In2O3, Ga2O3, Al2O3;, and Cu2O is characterized by the pentagonal-bipyramid arrangement of metal atoms and that of oxygen atoms, and prove the validity of our dual-random-sphere-packing model. In other words, we find that the pentagonal medium-range order is universal independent of type of metal oxide.
引用
收藏
页数:4
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