Quantum Transport in Altermagnetic Materials 🧲⚡

A modern C++ toolkit for simulating quantum transport phenomena in altermagnetic materials, inspired by the groundbreaking work in Physical Review X 12, 031042 (2022), using both Kubo and Boltzmann formalisms.

🌟 Key Features

• Advanced Transport Calculations: Compute conductivity (σ) and thermoelectric (α) tensors
• Dual Solver Support: Both Kubo and Boltzmann transport formalisms implemented
• Parallel Computing: OpenMP-accelerated calculations
• Comprehensive Analysis: Berry curvature, DOS, and band structure capabilities
• Modern C++: Clean, templated code with Eigen integration
• Visualization Ready: Jupyter notebooks for post-processing included

📦 Installation & Setup

Prerequisites

• Compiler: GCC ≥ 9.0 or Clang ≥ 10.0
• Dependencies:
  • Eigen3 (≥ 3.3.7)
  • OpenMP
  • CMake (≥ 3.12)
  • Python (for post-processing)

🚀 Quick Start (Linux/macOS)

# Clone the repository
git clone https://github.com/yourusername/quantum-transport-altermagnets.git
cd quantum-transport-altermagnets

# Create build directory
mkdir build && cd build

# Configure and build
cmake -DCMAKE_BUILD_TYPE=Release ..
make -j4

# Run an example
./bin/example_altermagnet_conductivity 4

🧮 Running Simulations

Configuration File

The params.ini file should be placed in your working directory (typically the build directory). An example configuration:

[System]
J = 0.0:1.0:0.025      # J values (start:end:step)
lambda = 0.0,0.1,0.5   # Spin-orbit coupling values
mesh_points = 250      # k-point resolution

[Transport]
Ef = 0.5               # Fermi energy
temperature = 0.02     # Reduced temperature
eta = 1e-2             # Kubo broadening
tau = 100.0            # Relaxation time

Basic Usage

# Run from build directory
cd build

# Conductivity calculation (4 threads)
./bin/example_altermagnet_conductivity 4

# Berry curvature calculation
./bin/example_altermagnet_berry

📊 Post-Processing

# Launch Jupyter notebook server from project root
jupyter notebook postprocessing/plot_berry.ipynb

🧩 Code Structure

quantum-transport-altermagnets/
├── bin/                # Compiled executables (in build directory)
├── params.ini          # Example configuration file
├── include/            # Header files
├── src/                # Core implementation
├── examples/           # Example source code
├── data/               # Output data
├── postprocessing/     # Visualization scripts
└── tests/              # Unit tests

🤝 Contributing

We welcome contributions! Please see our Contribution Guidelines.

📜 License

MIT License - See LICENSE for details.

---

Get Started Now - Unlock the secrets of quantum transport in altermagnets! ✨

git clone https://github.com/yourusername/quantum-transport-altermagnets.git