Structural changes in chlorine-substituted SbSI

Article no. 14101The antimony sulphoiodide (SbSI) is considered a prospective and important ferroelectric material due to its unique properties below Curie temperature Tc. However, the fact that current practical applications require higher working temperatures has prompted new structural improvements that extend the ferroelectric state. In this ternary system, Tc is highly sensitive to any chemical modifications or stress. Therefore, one way to adjust the Tc is through selective substitution of the constituent elements. In this work, SbSI has been fractionally chlorine-substituted at the iodine site and examined using temperature-dependent x-ray diffraction and specific heat capacity methods. Although a considerable increase in Tc has been achieved, a more detailed analysis shows that the Tc increases with x from 0 to 0.2 and starts to decrease when x > 0.2. The maximum Tc increase in the range of x = 0–0.3 is - 15.3%. The reverse behavior, from increase to decrease, is thoroughly discussed with reference to the previously published data on SbSI1-xClx compoundsEdukologijos tyrimų institutasFizinių ir technologijos mokslų centrasMokytojų rengimo institutasVytauto Didžiojo universiteta

Growth and theoretice research of semiconductive feroelectric SbOxS1-xI crystals

Bibliogr. str. galeLarge bulk crystals with polished surfaces are needed for the optical measurements of ferroelectric SbOxS1-xI crystals. The research group of the Solid Optics Laboratory of Vilnius Pedagogical University has grown volume crystals SbOxS1-xIChemijos institutasVytauto Didžiojo universitetasŠvietimo akademij

Investigation of the soft mode of SbSBrxI1-x crystals

Bibliogr. str. galeVilniaus universiteto Teorinės fizikos ir astronomijos institutasVytauto Didžiojo universitetasŠvietimo akademij

Searching for “defect-tolerant” photovoltaic materials: combined theoretical and experimental screening

Recently, we and others have proposed screening criteria for "defect-tolerant" photovoltaic (PV) absorbers, identifying several classes of semiconducting compounds with electronic structures similar to those of hybrid lead halide perovskites. In this work, we reflect on the accuracy and prospects of these new design criteria through a combined experimental and theoretical approach. We construct a model to extract photoluminescence lifetimes Of six of these candidate PV absorbers, including four (InI, SbSI, SbSeI, arid BiOI) for which time-resolved photoluminescence has not been previously reported. The lifetimes of all six candidate materials exceed 1 ns, a threshold for promising early stage PV device performance. However, there are variations between these materials, and none achieve lifetimes as high as those of the hybrid lead halide perovskites, suggesting that the heuristics for defect-tolerant semiconductors are incomplete. We explore this through first principles point defect calculations and Shockley-Read-Hall recombination models to describe the variation between the measured materials. In light of these insights, we discuss the evolution of screening criteria for defect tolerance and high-performance PV materialsVytauto Didžiojo universitetasŠvietimo akademij