Strong room-temperature blue-violet photoluminescence of multiferroic BaMnF₄

BaMnF$_4$ microsheets have been prepared by hydrothermal method. Strong room-temperature blue-violet photoluminescence has been observed (absolute luminescence quantum yield 67%), with two peaks located at 385 nm and 410 nm, respectively. More interestingly, photon self-absorption phenomenon has been observed, leading to unusual abrupt drop of luminescence intensity at wavelength of 400 nm. To understand the underlying mechanism of such emitting, the electronic structure of BaMnF$_4$ has been studied by first principles calculations. The observed two peaks are attributed to electrons' transitions between the upper-Hubbard bands of Mn's $t_{2g}$ orbitals and the lower-Hubbard bands of Mn's $e_g$ orbitals. Those Mott gap mediated d-d orbital transitions may provide additional degrees of freedom to tune the photon generation and absorption in ferroelectrics.