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Stacked van der Waals heterostructures based on transition metal dichalcogenides (TMDs) exhibit a rich variety of exotic interfacial phenomena. Substituting one component with an organic semiconductor (OSC) enables the design of hybrid…
Three new phases of ternary transitional metal carbides, namely MAX phases, Nb4SiC3, Nb4GeC3 and Nb4GaC3 were proposed by means of density functional theory, and they were all predicted to be mechanically stable. It was figured out that the…
We propose lyotropic chromonic liquid crystals (LCLCs) as a distinct class of materials for organic electronics. In water, the chromonic molecules stack on top of each other into elongated aggregates that form orientationally ordered…
In recent years, the superconductivity of novel layered materials, titanium-based pnictide oxides, was discovered. Due to the properties of possessing both cuprate and iron-based superconductors, these compounds have attracted the interest…
Semi-empirical quantum chemistry methods offer a very interesting compromise between accuracy and computational load. In order to assess the performance of NDDO methods in the interpretation of terahertz spectra, the low frequency vibration…
Although ferroelectric compounds containing hydrogen bonds were among the first to be discovered, organic ferroelectrics are relatively rare. The discovery of high polarization at room temperature in croconic acid [Nature \textbf{463}, 789…
The present work is focused on theoretical and experimental study of localised levels in organic materials suitable for light-emitting devices and field effect transistors by means of thermal techniques. In our work we focused on low…
Lithium, a prototypical simple metal under ambient conditions, has a surprisingly rich phase diagram under pressure, taking up several structures with reduced symmetry, low coordination numbers, and even semiconducting character with…
We investigate the optical transmission spectra for $s$-polarized (TE) and $p$-polarized (TM) waves in one-dimensional photonic quasicrystals on a quasiperiodic multilayer structure made up by alternate layers of SiO$_{2}$ and…
Crystals of 1,3,5-tripyrrolebenzene (TPB) contain closely packed, perfectly cofacial stacks of benzene rings with large wavefunction overlap, making it an interesting candidate organic semiconductor. We study TPB using a variety of…
The tunability of materials properties by light promises a wealth of future applications in energy conversion and information technology. Strongly correlated materials such as transition-metal dichalcogenides (TMDCs) offer optical control…
Transition metal dichalcogenides (TMDs) attract significant attention due to their exceptional optical, excitonic, mechanical, and electronic properties. Nanostructured multilayer TMDs were recently shown to be highly promising for…
Dirac- and Weyl point- and line-node semimetals are characterized by a zero band gap with simultaneously vanishing density of states. Given a sufficient interaction strength, such materials can undergo an interaction instability, e.g., into…
The electronic gap structure the organic molecule N,N'-diphenyl-N,N'-bis(3-methylphenyl)-(1,1'-biphenyl)-4,4'-diamine, or TPD, has been studied by means of a Scanning Tunneling Microscope (STM) operated under ambient conditions, and by…
We report a family of luminescent alternant diradicals which, at room temperature, support a ground-state spin-triplet, near-unity photoluminescence quantum yields, and optical spin addressability. These diradicals comprise trityl groups…
Prethermal discrete time crystals (DTCs) are a novel phase of periodically driven matter that exhibits robust subharmonic oscillations without requiring disorder. However, previous realizations of prethermal DTCs have relied on the presence…
The organic materials (TMTSF)2X are unique unconventional superconductors with archetypal quasi-one-dimensional (Q1D) electronic structures. Here, based on our comprehensive field-angle-resolved calorimetry of (TMTSF)2ClO4, we succeeded in…
We report theoretical and experimental results on the transition metal pnictide WP. The theoretical outcomes based on tight-binding calculations and density functional theory indicate that WP is a three-dimensional superconductor with an…
Among a huge variety of known two-dimensional materials, some of them have anisotropic crystal structures; examples include so different systems as a few-layer black phoshphorus (phosphorene), beryllium nitride BeN$_4$, van der Waals magnet…
Vanadyl phthalocyanine (VOPc) is a promising organic molecule for applications in quantum information because of its thermal stability, efficient processing, and potential as a spin qubit. The deposition of VOPc in different molecular…