Crystal structure/lattice resources (with examples)?

In summary: Hope this helps!In summary, the conversation discussed a student's independent study project in which they were using the Abinit package to calculate the elastic properties of metalloids. They were struggling with determining the coordinates of atoms in a crystal structure and asked for recommendations on learning resources. It was suggested that they read "Solid State Physics" by Ashcroft and Mermin and "Introduction to Solid State Physics" by Charles Kittel for a comprehensive understanding of solid state physics and crystal structure calculations.
  • #1
artfullounger
79
12
Hello PF :D

So, I am an (engineering) undergraduate working on an independent study project, which for me is doing some computational work for a lecturer's research. Specifically, I am using the Abinit package to calculate the elastic properties of some metalloids. To create the input file I need to include information on, among other things, the primitive vectors and coordinates (cartesian or reduced) of the atoms in the crystal.

The problem is that I don't know how to calculate these properties! Currently my background is limited to Engineering Materials Vol. 1 by Ashby and Jones, which discusses some basic concepts of crystallography, but doesn't have anything on how to calculate the coordinates of atoms in a crystal structure given certain parameters. I also have been referring to the Physics of Engineering Solids by Hutchinson and Baird which has more stuff on lattices but I find somewhat confusing.

Thus, my question is, can you recommend any good learning resources (textbook or otherwise, although I find podcasts and videos less helpful for my learning style) for basic solid state physics/materials science focusing particularly on lattices and crystal structure (with examples of calculations and the like ideally)? Currently I've just been trying out different books that are more or less on these topics. I'm planning on having a look at Kittel next, as that's the recommended text for my universities introductory solid state physics course.
 
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  • #2
Glad to hear you are working on an independent study project! To help you with your research, I would highly recommend the book "Solid State Physics" by Ashcroft and Mermin. This book provides a comprehensive overview of the fundamentals of solid state physics, including lattice and crystal structure. It also provides plenty of examples and calculations that you can use to understand the concepts better. Additionally, the book has a very user-friendly approach and is easy to comprehend. Another great resource for more detailed information on this topic is the book "Introduction to Solid State Physics" by Charles Kittel. This book provides a more detailed look at various topics related to solid state physics, including lattices and crystal structure. It also provides plenty of examples and calculations. Both books should provide you with the information you need to understand and calculate the primitive vectors and coordinates of atoms in a crystal structure.
 

Related to Crystal structure/lattice resources (with examples)?

1. What is a crystal structure?

A crystal structure refers to the unique arrangement of atoms, ions, or molecules in a crystalline material. It determines the physical and chemical properties of the material and can be characterized by its lattice parameters, unit cell, and symmetry.

2. How is crystal structure determined?

Crystal structure can be determined using various techniques such as X-ray diffraction, neutron diffraction, and electron diffraction. These methods involve bombarding a crystal with a beam of particles or electromagnetic radiation and analyzing the resulting diffraction pattern to determine the arrangement of atoms within the crystal.

3. What are some common crystal structures?

Some common crystal structures include face-centered cubic (FCC), body-centered cubic (BCC), and hexagonal close-packed (HCP). Examples of materials with FCC crystal structure include copper, gold, and silver, while iron, tungsten, and chromium have BCC crystal structure. HCP crystal structure can be found in materials such as titanium, zinc, and magnesium.

4. Are there resources available to help identify crystal structures?

Yes, there are resources available to help identify crystal structures. The International Centre for Diffraction Data (ICDD) maintains a database of known crystal structures called the Powder Diffraction File (PDF) which can be accessed online. Additionally, there are software programs such as CrystalMaker and VESTA that can be used for crystal structure identification.

5. Can crystal structure affect material properties?

Yes, crystal structure can greatly influence the properties of a material. For example, the arrangement of atoms in a crystal can affect its strength, hardness, electrical conductivity, and thermal conductivity. Changes in crystal structure, such as through heat treatment or alloying, can also alter the properties of a material.

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