huiihao / Spiral
We identify a ferroelectric topological structure, termed "dipole spiral," which exhibits a giant intrinsic piezoelectric response (>320 pC/N). This helical structure, primarily stabilized by entropy and possessing a rotational zero-energy mode, unlocks new possibilities for exploring chiral phonon dynamics and dipolar DM-like interactions.
☆9Updated 5 months ago
Alternatives and similar repositories for Spiral:
Users that are interested in Spiral are comparing it to the libraries listed below
- Ferroelectric/Ferroelastic domain wall builder☆17Updated 3 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆37Updated 2 weeks ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆51Updated 9 months ago
- Export Eigenvectors from Phonopy format to VESTA☆37Updated last month
- Tools for Phono(3)py power users.☆31Updated last year
- scripts related to qe☆20Updated 3 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 9 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 8 months ago
- KPROJ: A Band Unfolding Program☆38Updated 3 weeks ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆24Updated 2 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆26Updated 3 weeks ago
- quick analysis of vasp calculation☆35Updated 7 months ago
- python workflow for GW-BSE calculation☆25Updated last year
- Occupation matrix control modification VASP☆44Updated 5 years ago
- Visualize vibrational modes from VASP calculations☆37Updated last week
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆31Updated 2 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆54Updated 2 weeks ago
- Band structure unfolding made easy!☆45Updated 2 weeks ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆18Updated 3 weeks ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Dealing with slabs for first principles calculations of surfaces☆59Updated last year
- ☆18Updated 5 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆20Updated last year
- Interfacial Phonon code☆25Updated 2 years ago
- some toolkits for VASP☆28Updated 3 years ago
- DFT post processing tools☆23Updated 6 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated last month
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆76Updated last year
- ☆14Updated 4 years ago