在十角形Al-Ni-Co半晶体上的半周期性附加层
Vipin Kumar Singh1, Marian Krajčí2, Pramod Bhakuni1
1UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore 452001, Madhya Pradesh, India.
概括
研究人员观察到半周期性单层在十角--半晶表面形成. 这种近期增长是由基质驱动的.
科学领域:
- 材料科学
- 表面科学
- 凝聚物质物理学
背景情况:
- 准周期性是准晶体的一个关键特征,这些材料具有远程秩序,但缺乏转换对称性.
- 了解准晶体表面的原子行为对于探索它们独特的电子和物理性质至关重要.
研究的目的:
- 研究 (K) 单层在十角-- (Al-Ni-Co) 准晶体的表面上的形成和结构.
- 阐明基质-吸附物相互作用在驱动半周期性生长模式中的作用.
主要方法:
- 扫描道显微镜 (STM) 用于原子级表面成像.
- 低能电子衍射 (LEED) 用于结构分析和对称性确定.
- 密度功能理论 (DFT) 计算以建模吸附物-基质相互作用并预测生长结构.
主要成果:
- 在十角的Al-Ni-Co表面上形成了半周期性单层.
- 在较低的覆盖面上观察到分散的K原子,在较高的覆盖面上凝聚成五角形和十角形的图案.
- LEED模式证实了十角对称性,STM结果与K adatoms的DFT预测密切匹配,与有利的准周期位相结合.
结论:
- 由吸附物与基质的相互作用驱动的十角形Al-Ni-Co准晶体上形成准周期单层.
- 准晶体基质的电子结构决定了附加层的准周期增长.
- 实验结果与理论预测强烈一致,验证了DFT模型.
相关概念视频
Ionic Crystal Structures
14.7K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
14.7K
Electron Configuration of Multielectron Atoms
54.2K
The alkali metal sodium (atomic number 11) has one more electron than the neon atom. This electron must go into the lowest-energy subshell available, the 3s orbital, giving a 1s22s22p63s1 configuration. The electrons occupying the outermost shell orbital(s) (highest value of n) are called valence electrons, and those occupying the inner shell orbitals are called core electrons. Since the core electron shells correspond to noble gas electron configurations, we can abbreviate electron...
54.2K
Metallic Solids
18.7K
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
18.7K
Crystal Field Theory - Tetrahedral and Square Planar Complexes
44.4K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
44.4K
Valence Bond Theory
9.4K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
9.4K
Lattice Centering and Coordination Number
9.9K
The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
Types of Unit Cells
Imagine taking a large number of identical...
Types of Unit Cells
Imagine taking a large number of identical...
9.9K


