In epitaxy, the lattice constant mismatch between two materials plays a crucial role in determining the quality of the resulting crystal structure. Let’s explore this further:
Defect-Free Epitaxial Growth: When the lattice constants of two materials are nearly identical, defect-free epitaxial growth occurs. In this scenario, one crystal lattice grows over another seamlessly. For a small lattice mismatch (usually less than 0.1%), the growth occurs with an approximate match of the lattice sites in the interface region of the two lattices. This small mismatch allows for a nearly perfect alignment of the crystal planes, resulting in high-quality epitaxial layers.
Strain and Dislocations: In epitaxy, lattice mismatch introduces strain between the epitaxial layer and the substrate. For small lattice mismatches (typically less than 3%), a pseudo-morphic growth occurs initially. During this phase, the epilayer endures lattice distortion and strain accumulation to maintain crystalline quality. Once the epilayer reaches a critical thickness, it tends to recover its own lattice constant and release the stored strain by forming dislocations. In contrast, for large lattice mismatches, misfit dislocations immediately occur at the heterointerface to accommodate the strain induced by the mismatch. As a result, the crystalline quality of the hetero-epilayer is not as satisfactory as that of homoepitaxial layers2.
Hence, a small lattice constant mismatch is desirable for achieving high-quality epitaxial growth, while larger mismatches can lead to dislocations and reduced crystalline quality. Researchers and engineers carefully consider these factors when designing epitaxial structures for various applications.
A lattice constant (also known as a lattice parameter) refers to the constant distance between unit cells in a crystal lattice. In three-dimensional lattices, there are typically three lattice constants, denoted as a, b, and c. However, in the special case of cubic crystal structures, all three constants are equal, and we only refer to a12.
Here’s how you can calculate lattice constants:
Simple Cubic Crystal: In a simple cubic crystal, there is only one lattice constant, which represents the distance between atoms. Let’s denote this as a. For a simple cubic lattice, the geometry is determined by the a length alone. For example, diamond (which has a face-centered cubic structure) has a lattice constant a of approximately 3.57 Å (angstroms) at 300 K.
Other Crystal Systems : I more complex crystal systems (e.g., hexagonal, orthorhombic, etc.), all three lattice constants (a, b, and c) may be different. The lattice parameters depend on factors such as temperature, pressure, electric and magnetic fields, and isotopic composition. Techniques like X-ray diffraction or atomic force microscopy can be used to determine lattice parameters. When epitaxial growth occurs (e.g., a crystal layer grows over a substrate of different composition), matching lattice parameters is crucial to reduce strain and crystal defects.
Calculating Lattice Parameters: One method involves using Bragg’s Law, which connects the distance between crystal planes to the angle of X-ray diffraction. By measuring these angles and knowing the X-ray wavelength, scientists can find the lattice parameter.
Now, let’s apply this to your specific example:
For the first set of lattice constants: (a, b, c) = (11.5, 11.5, 11.5), all three constants are equal.
For the second set: (a, b, c) = (4.9, 4.9, 5.4), we have different values for a, b, and c.
To determine the lattice constant, you can consider the smallest error or deviation from ideal values. In this case, you can calculate the average value for a, b, and c and use that as the lattice constant.
Remember that lattice constants play a crucial role in understanding crystal structures and material properties.
Len Leonid Mizrah The answer with its bullet point structure is very AI-ish and not very on point writing about Bragg's law despite no experiment being involved here. Also, diamond has an fcc lattice, but the diamond structure is - the diamond structure. Did you really write this yourself?
About the second question with differing parameters: what matters is the in-plane lattice situation to my extent of knowledge. So, if you match along the (001) planes where only the 11.5 and 4.9 values account, you have the trivial case 11.5/4.9, while if you start involving the 5.4 axis, you will have to find a stretching factor for the elemental cell. See Jan-Martin Wagner's answer here: