Tetrahedral shape of $^{110}$Zr from covariant density functional theory in 3D lattice space
Fangfang Xu, Bo Li, Zhengxue Ren, Pengwei Zhao

TL;DR
This paper introduces a new computational method for covariant density functional theory in 3D lattice space, revealing a tetrahedral shape in the ground state of $^{110}$Zr and analyzing deformation effects on the energy surface.
Contribution
The paper develops an efficient PCG-F method for covariant density functional theory and applies it to identify tetrahedral deformation in $^{110}$Zr.
Findings
Ground state of $^{110}$Zr exhibits tetrahedral shape
Deformations $eta_{31}$ and $eta_{33}$ soften the potential energy surface
Single-particle levels evolve microscopically with deformation
Abstract
Covariant density functional theory is solved in 3D lattice space by implementing the preconditioned conjugate gradient method with a filtering function (PCG-F). It considerably improves the computational efficiency compared to the previous inverse Hamiltonian method (IHM). This new method is then applied to explore the tetrahedral shape of Zr in the full deformation space. The ground state of Zr is found to have a tetrahedral shape, but the deformations and greatly soften the potential energy surface. This effect is analysed with the microscopic evolution of the single-particle levels near the Fermi surface driven by the deformation.
Peer Reviews
No public reviews on file for this paper yet. If you reviewed it on a platform where reviews are public (OpenReview, ICLR, NeurIPS, ICML), you can paste yours below so the community can read it here.
Videos
No videos yet. Explain this paper in a talk, walkthrough, or lecture? Add one.
Taxonomy
TopicsMedical Imaging Techniques and Applications · X-ray Diffraction in Crystallography · Inorganic Fluorides and Related Compounds
