相关论文: Band gap evolution in Ruddlesden-Popper phases
Ruddlesden-Popper nickelates offer a new route to high-temperature superconductivity beyond the cuprates and iron-pnictides. However, the electronic reorganization that enables superconductivity in bilayer nickelates remain unresolved,…
Recently, layered hybrid perovskites have been attracting huge interest due to a wide range of possible chemical compositions and the resulting tunability of the materials properties. In this study, we investigate the effect of the chain…
Understanding the nature and energy distribution of optical resonances is of central importance in low-dimensional materials$^{1-4}$ and its knowledge is critical for designing efficient optoelectronic devices. Ruddlesden-Popper halide…
Ruddlesden-Popper hybrid iodide 2D perovskites are put forward as stable alternatives to their 3D counterparts. Using first-principles calculations, we demonstrate that equilibrium concentrations of point defects in the 2D perovskites…
The observation of low energy edge photoluminescence and its beneficial effect on the solar cell efficiency of Ruddlesden-Popper perovskites has unleashed an intensive research effort to reveal its origin. This effort, however, has been met…
Phase segregation is a critical phenomenon that influences the stability and performance of mixed halide perovskite based opto-electronic devices. In addition to the underlying physical mechanisms, the spatial pattern and randomness…
We analyze the electronic structure of the recently synthesized higher-order nickelate Ruddlesden-Popper phases La$_{n+1}$Ni$_n$O$_{3n+1}$ ($n=4-6$) using first-principles calculations. For all materials, our results show large holelike…
Metal-halide perovskites are promising materials for future optoelectronic applications. One intriguing property, important for many applications, is the tunability of the band gap via compositional engineering. While experimental reports…
Lead (Pb) halide perovskites have achieved great success in recent years due to their excellent optoelectronic properties, which is largely attributed to the lone-pair s orbital-derived antibonding states at the valence band edge. Guided by…
Metal halide perovskites (MHPs) exhibit pronounced spin-orbit coupling (SOC) as a result of their heavy metal constituents, leading to distinctive electronic properties such as Rashba type band splitting which make them promising candidates…
Ruddlesden-Popper nickelates exhibit superconductivity under pressure in bulk crystals and under epitaxial constraint in thin films, while remaining highly sensitive to sample quality, oxygen content, defects, and stress conditions. We…
The vibrational modes in organic/inorganic layered perovskites are of fundamental importance for their optoelectronic properties. The hierarchical architecture of the Ruddlesden-Popper phase of these materials allows for distinct…
The discovery of superconductivity in Ruddlesden-Popper (RP) nickelates has drawn great attention. Many works have been done to study the superconductivity as well as to find more superconducting RP nickelates. However, there is a lack of…
Signatures of superconductivity under pressure have recently been reported in the bilayer La$_3$Ni$_2$O$_7$ and trilayer La$_4$Ni$_3$O$_{10}$ Ruddlesden-Popper (RP) nickelates with general chemical formula La$_{n+1}$Ni$_n$O$_{3n+1}$ ($n=$…
Chalcogenide perovskites have emerged as promising lead free materials for photovoltaic and thermoelectric applications. Among them, BaZrS3 has attracted particular attention due to its thermal and chemical stability, favorable…
Before assessing the suitability of a semiconductor for specific applications, the first question to ask is whether it possesses a direct or indirect band gap. This distinction is fundamental, as the operation of devices such as…
Halide perovskites are currently under intense investigation due to their potential applications in optoelectronics and solar cells. Among them several crystallize in low symmetry lattice structures like trigonal, hexagonal, orthorhombic…
Halide perovskites constitute a chemically-diverse class of crystals with great promise as photovoltaic absorber materials, featuring band gaps between about 1 and 3.5 eV depending on composition. Their diversity calls for a general…
Layered perovskites such as the Dion-Jacobson, Ruddlesden-Popper, and Aurivillius families host a wide range of correlated electron phenomena, from high-temperature superconductivity to multiferroicity. Here we report a new family of…
Chalcogenide perovskites, particularly II-IV ABS3 compounds, are a promising class of materials for optoelectronic applications. However, these materials frequently exhibit instability in two respects: 1) a preference for structures…