Curie Temperature 2d-material

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Andres Tellez Mora

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Nov 7, 2022, 4:08:19 PM11/7/22
to Vampire Users
Dear Vampire users.

I have been using Vampire 6.0 to calculate the Curie temperature of a CrBr3 monolayer. Based on the Mermin-Wagner theorem, I believe I should not expect any magnetization at any temperature greater than 0 if I only consider the isotropic exchange. However, I do get some magnetization even after 20 K. I don't know if my system in this case is not truly 2-dimensional or there's something else. I attach the input and output files; notice that even the uniaxial anisotropy is set to 0.
output
input
vampire.UCF
vampire.mat

Richard Evans

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Nov 8, 2022, 3:21:26 AM11/8/22
to Andres Tellez Mora, Vampire Users
Dear Andres,

The Mermin-Wagner theorem is essentially irrelevant due to finite size effects - see the attached paper. In summary, finite Tc is fully expected for an isotropic 2D material.

All the best,

Richard



On 7 Nov 2022, at 21:08, Andres Tellez Mora <at0...@mix.wvu.edu> wrote:

Dear Vampire users.

I have been using Vampire 6.0 to calculate the Curie temperature of a CrBr3 monolayer. Based on the Mermin-Wagner theorem, I believe I should not expect any magnetization at any temperature greater than 0 if I only consider the isotropic exchange. However, I do get some magnetization even after 20 K. I don't know if my system in this case is not truly 2-dimensional or there's something else. I attach the input and output files; notice that even the uniaxial anisotropy is set to 0.

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<output><input><vampire.UCF><vampire.mat>

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