How spin relaxes and dephases in bulk halide perovskites.

Spintronics in halide perovskites has drawn significant attention in recent years, due to their highly tunable spin-orbit fields and intriguing interplay with lattice symmetry. Here, we perform first-principles calculations to determine the spin relaxation time (T) and ensemble spin dephasing time ([Formula: see text]) in a prototype halide perovskite, CsPbBr. To accurately capture spin dephasing in external magnetic fields we determine the Landé g-factor from first principles and take it into account in our calculations.

Spin-polarized electronic properties of naphthylene-based carbon nanostructures.

The 2D naphthylene-β structure is a theoretically proposed sp nanocarbon allotrope based on the assembly of naphthalene-based molecular building blocks, which features metallic properties. We report that 2D naphthylene-β structures host a spin-polarized configuration which turns the system into a semiconductor. We analyze this electronic state in terms of the bipartition of the lattice.

Tripentaphenes: two-dimensional acepentalene-based nanocarbon allotropes.

Tripentaphenes are 2D nanocarbon lattices conceptually obtained from the assembly of acepentalene units. In this work, density functional theory is used to investigate their structural, electronic, and vibrational properties. Their bonding configuration is rationalized with a resonance mechanism, which is unique to each of the 2D assemblies.