Related papers: Frontier orbitals control dynamical disorder in mo…

We present the results of a numerical investigation of charged-particle transport across a synthesized magnetic configuration composed of a constant homogeneous background field and a multiscale perturbation component simulating an effect…

Modeling the electronic and optical properties of organic semiconductors remains a challenge for theory, despite the remarkable progress achieved in the last three decades. The complexity of these systems, including structural (dis)order…

Hybrid organic-inorganic perovskites (HOIP) have emerged in recent years as highly promising semiconducting materials for a wide range of optoelectronic and energy applications. Nevertheless, the rotational dynamics of the organic…

Metal/semiconductor interfaces govern the operation of semiconductor devices through the formation of charge injection barriers that can be controlled by tuning the metal work function. However, the controlling ability is typically limited…

We show that it is possible to reach one of the ultimate goals of organic electronics: producing organic field-effect transistors with trap densities as low as in the bulk of single crystals. We studied the spectral density of localized…

Phosphorene is a promising single elemental two-dimensional layered semiconductor with huge potential for future nanoelectronics and spintronics applications. In this work, we investigated the effect of an organic molecule (benzene) in the…

We study transport across a time-dependent magnetic barrier present on the surface of a three-dimensional topological insulator. We show that such a barrier can be implemented for Dirac electrons on the surface of a three-dimensional…

Photonic Chern insulators enable unidirectional light transport protected by nontrivial band topology -- essential for robust photonic integrated circuits and error-free communication. However, disorder from impurities or defects inevitably…

Unconventional superconductivity often emerges at the border of long-range magnetic orders. Understanding the low-energy charge dynamics may provide crucial information on the formation of superconductivity. Here we report the…

Inversion asymmetry in two-dimensional materials grants them fascinating properties such as spin-coupled valley degrees of freedom and piezoelectricity, but at the cost of inversion domain boundaries if the epitaxy of the grown 2D layer --…

Charge transport through a short DNA oligomer (Dickerson dodecamer) in presence of structural fluctuations is investigated using a hybrid computational methodology based on a combination of quantum mechanical electronic structure…

Half-quantum vortices -- topological excitations carrying half the superconducting flux quantum -- are predicted to emerge in spin-triplet superconductors, where the spin component of order parameter enables fractional flux quantization. We…

Photonic metasurfaces are ultrathin electromagnetic wave-molding metamaterials providing the missing link for the integration of nanophotonic chips with nanoelectronic circuits. An extra twist in this field originates from spin-optical…

The unusual electronic properties of single-layer graphene make it a promising material system for fundamental advances in physics, and an attractive platform for new device technologies. Graphene's spin transport properties are expected to…

Frontier orbitals, i.e., the highest occupied and lowest unoccupied orbitals of a molecule, generally determine molecular properties, such as chemical bonding and reactivities. Consequently, there has been a lot of interest in measuring…

Controlling the spin transport at the single-molecule level, especially without the use of ferromagnetic contacts, becomes a focus of research in spintronics. Inspired by the progress on atomic-level molecular synthesis, through…

We investigated transport properties of organic heterointerfaces formed by single-crystals of two organic donor-acceptor molecules, tetramethyltetraselenafulvalene (TMTSF) and 7,7,8,8-tetracyanoquinodimethane (TCNQ). Whereas the individual…

The intrinsic incommensurate charge density wave in metal-organic frameworks has remained elusive due to the lack of direct evidence linking atomic-scale structural modulation to macroscopic electronic properties. Using high-quality…

The anisotropic charge carrier mobilities of two phenancene series compounds such as dibenzo[a,c]picene (DBP) and tribenzo[a,c,k]tetraphene (TBT) is investigated based on the first-principle calculations and Marcus-Hush theory. The…

Environmental noise and disorder play critical roles in quantum particle and wave transport in complex media, including solid-state and biological systems. Recent work has predicted that coupling between noisy environments and disordered…