Ferroelectric polymorphic phenomena in the layered antiferromagnet Cu(OH).

Ferroic orders and their associated structural phase transitions are paramount in the understanding of a multitude of unconventional condensed matter phenomena. On this note, our investigation focuses on the polymorphic ferroelectric (FE) phase transitions of Copper(II) hydroxide, Cu(OH), considering an antiferromagnetic ground state. By employing the first-principles studies and group theory analysis, we have provided a systematic theoretical investigation of vibrational properties in the hypotheticalhigh-symmetry phase to unveil the symmetry-allowed ferroic phases.

Deep Earth Chronicles: High-Pressure Investigation of Phenakite Mineral BeSiO.

Beryllium silicate, recognized as the mineral phenakite (BeSiO), is a prevalent constituent in Earth's upper mantle. This study employs density-functional theory (DFT) calculations to explore the structural, mechanical, dynamical, thermodynamic, and electronic characteristics of this compound under both ambient and high-pressure conditions. Under ideal conditions, the DFT calculations align closely with experimental findings, confirming the mechanical and dynamical stability of the crystalline structure.

Coexistence of electron and phonon topology in conjunction with quantum transport device modeling.

The escalating research in the field of topology necessitates an understanding of the underlying rich physics behind the materials possessing unique features of non-trivial topology in both electronic and phononic states. Due to the interaction between electronic quasiparticles and spin degrees of freedom, the realization of magnetic topological materials has opened up a new frontier with unusual topological phases, however, these are rarely reported alongside phononic quasiparticle excitations. In this work, by first-principles calculations and symmetry analysis, the intermetallic ferromagnetic compounds MnGaGe and MnZnSb with the coexistence of exceptional topological features in the electronic and phononic states are proposed.

Evidence for topological features in the electronic and phononic bands of ZGeSb (Z = Hf, Zr, Ti) class of compounds.

Nontrivial topological properties in materials have been found in either the electronic or the phononic bands, but they have seldom been shown in both for a compound. With the aid of first-principle calculations, our paper attempts to find topological features in the electron and phonon band structures of ZGeSb (Z = Hf, Zr, Ti) class of compounds. The electron band structure exhibits two nodal rings in each of these compounds.