V. Gorelov | Searcharxiv

arXiv2025

About carrier's self-trapping and dynamical Rashba splitting in the two-dimensional hybrid perovskite (BA)$_2$(MA)$_2$Pb$_3$I$_{10}$

Time- and Angle-Resolved Photoelectron Spectroscopy (tr-ARPES) is employed to monitor photoexcited electrons in the two-dimensional hybrid perovskite (BA)$_2$(MA)$_2$Pb$_3$I$_{10}$. Photoelectron intensity maps are in good agreement with ab-initio calculations of the band structure. The effective mass is $-0.18 \pm 0.02 m_e$ and $0.12 \pm 0.02 m_e$ for holes and electrons, respectively. In the photoexcited state, spin-orbit splitting of the conduction band cannot be resolved. This sets the upper bound of photoinduced Rashba coupling to $\alpha_C<2.5$ eV\AA. The correlated electron-hole plasma evolves in Wannier excitons with Bohr radius of 2.8 nm, while no sign of self-trapping in small polarons is found within the investigated time window of up to 120 ps following photoexcitation.

cond-mat.other↗

arXiv2023

Neutral band gap of carbon by quantum Monte Carlo methods

We present a method of calculating the energy gap of a charge-neutral excitation using only ground-state calculations. We report Quantum Monte Carlo calculations of $Γ\rightarrowΓ$ and $Γ\rightarrow X$ particle-hole excitation energies in diamond carbon. We analyze the finite-size effect and find the same $1/L$ decay rate as that in a charged excitation, where $L$ is the linear extension of the supercell. This slow decay is attributed to the delocalized nature of the excitation in supercells too small to accommodate excitonic binding effects. At larger system sizes, the apparent $1/L$ decay crosses over to a $1/L^3$ behavior. Estimation of the scale of exciton binding can be used to correct finite-size effects of neutral gaps.

cond-mat.mtrl-sci↗