Calculating Potential Energy of Iron Slab in Ferro/Anti-Ferro Magnetic States

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SUMMARY

This discussion focuses on calculating the potential energy surface of an iron slab in both ferromagnetic and antiferromagnetic states. The user employs a method where the ferromagnetic potential energy is calculated by multiplying the number of atoms by a magnetic moment value of 3, which is noted to be slightly higher than the actual value. The user seeks clarification on the various configurations available for antiferromagnetic types, indicating a need for more reliable sources on this topic. The context is set within a Master's project in chemistry, highlighting the interdisciplinary nature of the inquiry.

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  • Understanding of potential energy calculations in magnetic materials
  • Familiarity with ferromagnetic and antiferromagnetic behaviors
  • Knowledge of atomic magnetic moments and their significance
  • Basic principles of solid-state physics
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Hello,

I am calculating the potential energy surface of an iron slab, once with a ferro magnetic behavior and later anti ferromagnetic behavior, I know for ferromagnetic I multiply the number of atoms by its magnetic moment (I use 3 that must be a little higher than its real value),
my question here is : how many possibilities do I have for anti ferromagnetic types, I have found few things but I am not sure about the source, you the physicists are more able to solve this.

Regards,
 
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Welcome to PF!

Is this a homework assignment? If so what level of physics?
 
jedishrfu said:
Welcome to PF!

Is this a homework assignment? If so what level of physics?
It is a sub part of my Ms. project of chemistry, I am not a physicist.
 

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