Madhumita Nath

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Questions related from Madhumita Nath

What are co-ordinates of Ni (with both spin up and down) and O in NiO?

I want to make a unit cell of NiO. We know that NiO is an antiferromagnetic material meaning the magnetic moments of the neighbouring Ni ions align in an alternating manner (one spin up and then...

08 June 2023 7,127 1 View

In CASTEP, how I can calculate the magnetic exchange coupling constant, J?

For calculating the Hamiltonian in Ising model, I need to know the value of J. Can anyone suggest me, how I can calculate this constant using CASTEP?

28 November 2022 4,477 3 View