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The chemical bond is one of the most powerful, yet controversial concepts in chemistry, explaining property trends in solids. Recently, a novel type of chemical bonding has been identified in several higher chalcogenides, characterized by a unique property portfolio, unconventional bond breaking and sharing of about one electron between adjacent atoms. Metavalent bonding is a fundamental type of bonding besides covalent, ionic and metallic bonding, raising the pertinent question, if there is a well-defined transition between metavalent and covalent bonding. For three different pseudo-binary lines, namely GeTe1-xSex, Sb2Te3(1-x)Se3x and Bi2-2xSb2xSe3, a sudden drop in several properties, including the optical dielectric constant, the Born effective charge, the electrical conductivity as well as the bond breaking is observed once a critical Se or Sb concentration is reached. This finding provides a blueprint to explore the impact of metavalent bonding on attractive properties utilized in phase change materials and thermoelectrics.
Third-generation photovoltaic (PV) materials combine many advantageous properties, including a high optical absorption together with a large charge carrier mobility, facilitated by small effective masses. Halide perovskites (ABX3, where X is I, Br or
In order to stabilize the behavior of noisy systems, confining it around a desirable state, an effort is required to suppress the intrinsic noise. This noise suppression task entails a cost. For the important case of thermal noise in an overdamped sy
There is a longstanding discrepancy between the observed Galactic classical nova rate of $sim 10$ yr$^{-1}$ and the predicted rate from Galactic models of $sim 30$--50 yr$^{-1}$. One explanation for this discrepancy is that many novae are hidden by i
Nanophotonic chiral sensing has recently attracted a lot of attention. The idea is to exploit the strong light-matter interaction in nanophotonic resonators to determine the concentration of chiral molecules at ultra-low thresholds, which is highly a
We explore whether the topology of energy landscapes in chemical systems obeys any rules and what these rules are. To answer this and related questions we use several tools: (i)Reduced energy surface and its density of states, (ii) descriptor of stru