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Documenter.jl committed Nov 1, 2023
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2 changes: 1 addition & 1 deletion dev/.documenter-siteinfo.json
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{"documenter":{"julia_version":"1.9.3","generation_timestamp":"2023-10-31T16:49:55","documenter_version":"1.1.2"}}
{"documenter":{"julia_version":"1.9.3","generation_timestamp":"2023-11-01T03:44:35","documenter_version":"1.1.2"}}
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{
"cell_type": "markdown",
"source": [
"# Case Study: FeI₂\n",
"# 1. Multi-flavor spin wave simulations of FeI₂ (Showcase)\n",
"\n",
"FeI₂ is an effective spin-1 material with strong single-ion anisotropy.\n",
"Quadrupolar fluctuations give rise to a single-ion bound state that cannot be\n",
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"guide. Sunny requires Julia 1.9 or later.\n",
"\n",
"From the Julia prompt, load `Sunny`. For plotting, one can choose either\n",
"`GLMakie` (a pop-up window) or `WGLMakie` (inline plots for a Jupyter notebook\n",
"or VSCode)."
"`GLMakie` (a pop-up window) or `WGLMakie` (inline plots for a Jupyter\n",
"notebook)."
],
"metadata": {}
},
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{
"cell_type": "markdown",
"source": [
"Observe that `cryst` retains the spacegroup symmetry of the full FeI₂ crystal.\n",
"Importantly, `cryst` retains the spacegroup symmetry of the full FeI₂ crystal.\n",
"This information will be used, for example, to propagate exchange interactions\n",
"between symmetry-equivalent bonds.\n",
"\n",
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"The full SU(_N_) coherent state dynamics, with appropriate quantum correction\n",
"factors, can be useful to model finite temperature scattering data. In\n",
"particular, it captures certain anharmonic effects due to thermal\n",
"fluctuations. This is the subject of our FeI₂ at Finite Temperature\n",
"tutorial.\n",
"fluctuations. See our [generalized spin dynamics tutorial](@ref \"3.\n",
"Generalized spin dynamics of FeI₂ at finite *T*\").\n",
"\n",
"The classical dynamics is also a good starting point to study non-equilibrium\n",
"phenomena. Empirical noise and damping terms can be used to model [coupling to\n",
"a thermal bath](https://arxiv.org/abs/2209.01265). This yields a Langevin\n",
"dynamics of SU(_N_) coherent states. Our CP² Skyrmion Quench\n",
"tutorial shows how this dynamics gives rise to the formation of novel\n",
"topological defects in a temperature quench.\n",
"\n",
"Relative to LSWT calculations, it can take much more time to estimate\n",
"$\\mathcal{S}(𝐪,ω)$ intensities using classical dynamics simulation. See the\n",
"[SunnyTutorials\n",
"notebooks](https://nbviewer.org/github/SunnySuite/SunnyTutorials/tree/main/Tutorials/)\n",
"for examples of \"production-scale\" simulations."
"dynamics of SU(_N_) coherent states. Our [dynamical SU(_N_) quench](@ref \"5.\n",
"Dynamical quench into CP² skyrmion liquid\") tutorial illustrates how a\n",
"temperature quench can give rise to novel liquid phase of CP² skyrmions."
],
"metadata": {}
}
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{
"cell_type": "markdown",
"source": [
"# Powder Averaged CoRh₂O₄\n",
"# 2. Spin wave simulations of CoRh₂O₄\n",
"\n",
"This tutorial illustrates the calculation of the powder-averaged structure\n",
"factor by performing an orientational average. We consider a simple model of\n",
"the diamond-cubic crystal CoRh₂O₄, with parameters extracted from [Ge et al.,\n",
"Phys. Rev. B 96, 064413](https://doi.org/10.1103/PhysRevB.96.064413)."
"This tutorial illustrates the conventional spin wave theory of dipoles. We\n",
"consider a simple model of the diamond-cubic crystal CoRh₂O₄, with parameters\n",
"extracted from [Ge et al., Phys. Rev. B 96,\n",
"064413](https://doi.org/10.1103/PhysRevB.96.064413)."
],
"metadata": {}
},
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{
"cell_type": "markdown",
"source": [
"Construct a `System` with an antiferromagnetic nearest neighbor\n",
"interaction `J`. Because the diamond crystal is bipartite, the ground state\n",
"will have unfrustrated Néel order. Selecting `latsize=(1,1,1)` is sufficient\n",
"because the ground state is periodic over each cubic unit cell. By passing an\n",
"explicit `seed`, the system's random number generator will give repeatable\n",
"results."
"Construct a `System` with quantum spin $S=3/2$ constrained to the\n",
"space of dipoles. Including an antiferromagnetic nearest neighbor interaction\n",
"`J` will favor Néel order. To optimize this magnetic structure, it is\n",
"sufficient to employ a magnetic lattice consisting of a single crystal unit\n",
"cell, `latsize=(1,1,1)`. Passing an explicit random number `seed` will ensure\n",
"repeatable results."
],
"metadata": {}
},
{
"outputs": [],
"cell_type": "code",
"source": [
"latsize = (2, 2, 2)\n",
"seed = 0\n",
"latsize = (1, 1, 1)\n",
"S = 3/2\n",
"J = 7.5413*meV_per_K # (~ 0.65 meV)\n",
"sys = System(cryst, latsize, [SpinInfo(1; S, g=2)], :dipole; seed=0)\n",
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"outputs": [],
"cell_type": "code",
"source": [
"qpoints = [[0.0, 0.0, 0.0], [0.5, 0.0, 0.0], [0.5, 0.5, 0.0], [0.0, 0.0, 0.0]]\n",
"qpoints = [[0, 0, 0], [1/2, 0, 0], [1/2, 1/2, 0], [0, 0, 0]]\n",
"path, xticks = reciprocal_space_path(cryst, qpoints, 50)\n",
"energies = collect(0:0.01:6)\n",
"is = intensities_broadened(swt, path, energies, formula)\n",
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