相关论文: Structure-Property Relationship in Disordered Hype…
The properties of semiconductors, insulators, and photonic crystals are defined by their electronic or photonic bands, and the gaps between them. When the material is disordered, Lifshitz tails appear: these are localized states that…
We provide a covariant and gauge-invariant approach to the question of how a first order pressure can be incorporated self-consistently in a cosmological scenario. The approximation is relevant, in the linear regime, to weakly…
We study inhomogeneous one-dimensional Hubbard systems using the density matrix renormalization group method. Different heterostructures are investigated whose configuration is modeled varying parameters like the on-site Coulomb potential…
First-principles density functional theory (DFT) calculations of Lu-H-N compounds reveal low-energy configurations of Fm$\overline{3}$m Lu$_{8}$H$_{23-x}$N structures that exhibit novel electronic properties such as flat bands, sharply…
Density functional theory in the local or semi-local density approximation is a powerful tool for materials simulation, yet it struggles in many cases to describe collective electronic order that is driven by electronic interactions. In…
The role of inhomegeneity in determining the properties of correlated electron systems is poorly understood because of the dearth of structural probes of disorder at the nanoscale. Advances in both neutron and x-ray scattering…
The individual building blocks of van der Waals (vdW) heterostructures host fascinating physical phenomena, ranging from ballistic electron transport in graphene to striking optical properties of MoSe2 sheets. The presence of bonded and…
Rare-earth trihydrides ($R$H$_3$) exhibit intriguing coupled electronic and structural properties as a function of doping, hydrogen vacancies, and thermodynamic conditions. Theoretical studies of these materials typically rely on density…
The pseudogap metal phase of the hole-doped cuprate superconductors has two seemingly unrelated characteristics: a gap in the electronic spectrum in the `anti-nodal' region of the square lattice Brillouin zone, and discrete broken…
Fractures are a critical process in how materials wear, weaken, and fail whose unpredictable behavior can have dire consequences. While the behavior of smooth cracks in ideal materials is well understood, it is assumed that for real,…
Critical fluctuations of some order parameter describing a fluid generates long-range forces between boundaries. Here, we discuss fluctuation-induced forces associated to a disordered Landau-Ginzburg model defined in a $d$-dimensional slab…
A diffusive system coupled to unequal boundary reservoirs reaches a non-equilibrium steady state. While the full-counting-statistics of current fluctuations in these states are well understood for generic systems, results for steady-state…
Hyperuniform materials, characterized by anomalously suppressed long-wavelength density fluctuations, exhibit unique optical and photonic properties distinct from both crystalline and random media. While most prior studies have focused on…
DFT+U is a widely used treatment in the density functional theory (DFT) to deal with correlated materials that contain open-shell elements, whereby the quantitative and sometimes even qualitative failures of local and semilocal…
We study the behavior of a two-component plasma made up of non-additive hard disks with a logarithmic Coulomb interaction. Due to the Coulomb repulsion, long-wavelength total density fluctuations are suppressed and the system is globally…
In the present work, the overall nonlinear elastic behavior of a 1D multi-modular structure incorporating possible imperfections at the discrete (micro-scale) level, is derived with respect to both tensile and compressive applied loads. The…
We perform realistic first-principles calculations of iron chalcogenides and ruthenate based materials to identify experimental signatures of Hund's coupling induced correlations in these systems. We find that FeTe and K$_x$Fe$_{2-y}$Se$_2$…
The concept of hyperuniformity has been a useful tool in the study of large-scale density fluctuations in systems ranging across the natural and mathematical sciences. One can rank a large class of hyperuniform systems by their ability to…
Open cellular solids usually possess random microstructures that may contain a characteristic length scale, such as the cell size. This gives rise to size dependent mechanical properties where large systems behave differently from small…
Materials with correlated electrons often respond very strongly to external or internal influences, leading to instabilities and states of matter with broken symmetry. This behavior can be studied theoretically either by evaluating the…