In magnetic crystals, despite the explicit breaking of time-reversal symmetry, two equilibrium
states related by time reversal are always energetically degenerate. In ferromagnets, this …

Integration of ferroelectric materials into novel technological applications requires low
coercive field materials, and consequently, design strategies to reduce the ferroelectric …

Symmetry is fundamental to understanding our physical world. An antisymmetry operation
switches between two different states of a trait, such as two time states, position states …

Physical systems evolve from one state to another along paths of least energy barrier.
Without a priori knowledge of the energy landscape, multidimensional search methods aim …

Sliding bilayers are systems that exploit the possibility of two relatively translating
monolayers along a specific direction in real space, such that different stackings could be …

The crystal structures of several transition metal oxides, Ti2O3, V2O3, Cr2O3, Al2O3 and α-
Fe2O3, are studied using synchrotron radiation X-ray powder diffraction. The observed …

A comprehensive density functional theory (DFT/B3LYP method) investigation was done to
study the generation, optimized topologies, bonding, reactivity, stability, distortions and …

Spatial symmetries occur in combination with temporal symmetries in a wide range of
physical systems in nature, including time-periodic quantum systems typically described by …

The nudged elastic band (NEB) method is a commonly used approach for the calculation of
minimum energy pathways of kinetic processes. However, the final paths obtained rely …

Lattice dynamics is a key component in solid state physics. It helps the understanding of
many physical properties like structural phase transitions and ferroelectricity. Density …