Related papers: Relating Chromophoric and Structural Disorder in C…
Structural coloration, a color-generation mechanism often found in nature, arises from light-matter interactions such as diffraction, interference and scattering, with micro- and nanostructured elements. Herein, we systematically study…
In recent years, pi-conjugated polymers are attracting considerable interest in view of their light-dependent torsional reorganization around the pi-conjugated backbone, which determines peculiar light-emitting properties. Motivated by the…
The spectral properties of one exciton trapped in a self-assembled multi-layered quantum dot is obtained using a high precision variational numerical method. The exciton Hamiltonian includes the effect of the polarization charges, induced…
Understanding the transport mechanism of electronic excitations in conjugated polymers is key to advancing organic optoelectronic applications, such as solar cells, OLEDs and flexible electronics. While crystalline polymers can be studied…
The cohesion and conductance of a point contact in a two-dimensional metallic nanowire are investigated in an independent-electron model with hard-wall boundary conditions. All properties of the nanowire are related to the Green's function…
Recent theoretical studies predict that structural disorder, serving as a bridge connecting a crystalline material to an amorphous material, can induce a topological insulator from a trivial phase. However, to experimentally observe such a…
We study the decoherence of a system of $N$ non-interacting heavy particles (atoms) due to coherent scattering with a background gas. We introduce a framework for computing the induced phase shift and loss of contrast for arbitrary…
We study spectral and transport properties of one-dimensional tight-binding $\mathcal{PT}$-symmetric chains with alternating couplings. Based on the transfer matrix method, we have analytically developed the expressions for the transmission…
The three-dimensional organization of chromatin is thought to play an important role in controlling gene expression. Specificity in expression is achieved through the interaction of transcription factors and other nuclear proteins with…
How atoms in covalent solids rearrange over a medium-range length-scale during amorphization is a long pursued question whose answer could profoundly shape our understanding on amorphous (a-) networks. Based on ab-intio calculations and…
Many-body localized systems in which interactions and disorder come together defy the expectations of quantum statistical mechanics: In contrast to ergodic systems, they do not thermalize when undergoing nonequilibrium dynamics. What is…
Highly oriented pyrolytic graphite (HoPG) may be the only known monatomic crystal with the ability to host naturally formed moire patterns on its cleaved surfaces, which are coherent over micrometer scales and with discrete sets of twist…
We have investigated a new feature of impurity cyclotron resonances common to various localized potentials of graphene. A localized potential can interact with a magnetic field in an unexpected way in graphene. It can lead to formation of…
The first-principles simulation of the electronic structure of organic semiconductors in solution poses a number of challenges that are not trivial to address simultaneously. In this work, we investigate the effects and the mutual interplay…
This study presents a detailed quantum chemical investigation of the electronic and excited-state properties of syn- and anti-isomers of the borane cluster B18H22 and their sulfur-doped derivatives. Using the PB86/def2-SVP level of theory…
A multifold Hopf semimetal is a topological point node semimetal possessing an anisotropy in the internal electronic structure, e.g., the dipole structure of the Berry curvature. In this paper, the unique features of threefold Hopf…
Polysaccharides are semi-flexible polymers composed of sugar residues with a myriad of important functions including structural support, energy storage and immunogenicity. The local conformation of such chains is a crucial factor governing…
Three-dimensional (3D) chromatin structure is closely related to genome function, in particular transcription. However, the folding path of the chromatin fiber in the interphase nucleus is unknown. Here, we systematically measured the 3D…
In alloys exhibiting substitutional disorder, the variety of atomic environments manifests itself as a `disorder broadening' in their core level binding energy spectra. Disorder broadening can be measured experimentally, and in principle…
It has been long known that numerous halide and oxide perovskites can have non-ideal octahedra, showing tilting, rotation, and metal atom displacements. It has also been known that compounds that have at low temperatures a single structural…