The lattice constant of crystalline silicon, which has a diamond cubic crystal structure, is approximately 0.543 nm (or 5.43 Å).
This value might vary slightly depending on the experimental conditions, the specific sample, or the method of measurement, but 0.543 nm is the commonly accepted value in the literature. This dimension represents the spacing between adjacent atoms in the silicon crystal and is a crucial parameter for various calculations and simulations related to silicon-based devices and materials science.
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A lattice constant is one of six dimensions and angles that determine the geometry of a crystal unit cell. A lower lattice constant means a tighter binding between valence electrons and the parent atoms and requires more energy to free the valence electrons and enter the conduction band.
We combine enhanced Magpie descriptors with RF machine learning to develop a model with high prediction performance for cubic materials' lattice constant parameter a.
In chemistry, the term “substrate” refers to any chemical that another chemical or material can react with. The word’s definition differs slightly across niches, such as in biochemistry, where the substrate is a biological molecule that an enzyme can act on, or in materials science, where the substrate is a base material with which something else can be grown or performed. The term is also often used in physics to refer to the layer of a material on which something is being deposited or acted upon.
In crystal lattices, the lattice constants describe the distances between the corners of the unit cells or building blocks of a crystal structure. Cubic lattices, for example, have three linear constants that define the dimensions of a cubic unit cell and can be calculated from the positions of atoms in the structure using a hard-sphere model. These constants, called lattice parameters, can be measured with X-ray diffraction and atomic force microscopy.
The performance of different lattice constant prediction methods on the same set of samples is compared in Figure 4. The prediction method with the best R2 score for the lattice constant a is based
Determining a substrate's lattice structure involves examining the arrangement (geometry) of atoms or ions in the crystal and the distances between them. There are various experimental techniques employed for this purpose:
X-ray Diffraction (XRD): This is one of the most common techniques. When X-rays are directed at a crystalline material, they scatter off the atoms within the crystal, producing a diffraction pattern. One can deduce the atomic arrangement and lattice parameters by analyzing this pattern.
Electron Diffraction: Similar to XRD but using electrons. Transmission Electron Microscopy (TEM) often incorporates electron diffraction to study lattice structures. Due to the shorter wavelength of electrons compared to X-rays, electron diffraction can provide higher-resolution details.
Neutron Diffraction: Neutrons can also be used for diffraction studies, especially when the sample is sensitive to damage from X-rays or when light elements (which don't appear well in XRD) are involved.
Atomic Force Microscopy (AFM) and Scanning Tunneling Microscopy (STM): These are microscopy techniques that can provide atomic-resolution images of surfaces. They can be used to study the surface lattice structure of substrates directly.
Raman Spectroscopy: While not providing a direct image of the lattice, Raman spectroscopy can be used to identify crystal structures based on their vibrational modes. Different lattice structures will exhibit different vibrational signatures.
Low Energy Electron Diffraction (LEED): This technique is used specifically for surface crystallography. It involves directing a beam of low-energy electrons (20-200 eV) toward the surface and observing the resulting diffraction pattern to determine surface symmetry and lattice constants.
When analyzing a substrate whose lattice structure is unknown, using a combination of the above techniques is beneficial and provides complementary information and ensures a comprehensive understanding of the substrate's crystallography.
Lattice constant of GaAs is 5.653A and that of AlAs is 5.6605. Generally it is possible to grow AlAs on GaAs but 200nm is rather thick for the AlAs layer and it will be significantly strained.
The lattice constant for graphene, which refers to the distance between neighboring carbon atoms, is approximately 0.142 nm (or 1.42 Å).
Lattice constant: a =3.08 A, c = 15.117 A Stacking sequence: ABCACB (6H)