Related papers: Anharmonicity Measure for Materials
The incredible thermo-mechanical properties of biological materials arise from the microscopic scale due to a complex hierarchical mechanism, regulated by microinstabilities at the molecular level. The description of such complex structures…
We propose a class of incompatibility measures for quantum observables based on quantifying the effect of a measurement of one observable on the statistics of the outcomes of another. Specifically, for a pair of observables $A$ and $B$ with…
The classification of topological materials is revisited using advanced computational workflows that integrate hybrid density functional theory calculations with exact Hartree-Fock exchange. Unlike previous studies, our workflow optimizes…
The primary consideration in developing new material platforms for quantum applications is to optimize coherence. Despite its importance, decoherence processes remains challenging to experimentally interrogate and quantify. In this…
The quantum harmonic oscillator is the fundamental building block to compute thermal properties of virtually any dielectric crystal at low temperatures in terms of phonons, extended further to cases with anharmonic couplings, or even…
The postulate of the existence of a jamming phase diagram (Liu and Nagel, Nature 396, 21 EP (1998aa)) provides a theoretical basis for the classification of a wide range of amorphous solids (colloidal, molecular and emulsion glasses,…
In multifrequency atomic force microscopy higher eigenmodes are externally excited to enhance resolution and contrast while simultaneously increasing the number of experimental observables with the use of gentle forces. Here, the…
In this paper, the development of a mathematical method is presented to explore spatially non-uniform phases with no long-range order in mathematical models of first order phase transitions. We use essential results regarding the…
A densely packed granular system is an example of an out-of-equilibrium system in the jammed state. It has been a longstanding problem to determine whether this class of systems can be described by concepts arising from equilibrium…
Thermal mode spectroscopy (TMS) has been recently proposed for accurately measuring thermal diffusivity of solids from a temperature decay rate of a specific thermal mode selected by three- dimensional (anti)nodal information [Phys. Rev.…
Complexity is a measure of information content. Crystalline materials are not complex systems because their structures can be represented tersely using the language of crystallography. Disordered materials are also structurally simple if…
What characterises a solid is its way to respond to external stresses. Ordered solids, such crystals, display an elastic regime followed by a plastic one, both well understood microscopically in terms of lattice distortion and dislocations.…
In this contribution I review rigorous formulations of a variety of limitations of measurability in quantum mechanics. To this end I begin with a brief presentation of the conceptual tools of modern measurement theory. I will make precise…
Measurements in classical and quantum physics are described in fundamentally different ways. Nevertheless, one can formally define similar measurement procedures with respect to the disturbance they cause. Obviously, strong measurements,…
Proper consideration of anharmonicity is important for the calculation of the thermal conductivity. However, how the anharmonicity influences the thermal conduction in amorphous materials is still an open question. In this work, we uncover…
A unified theory of phase transitions and quantum effects in quantum anharmonic crystals is presented. In its framework, the relationship between these two phenomena is analyzed. The theory is based on the representation of the model Gibbs…
The variational stochastic self-consistent harmonic approximation is combined with the calculation of third-order anharmonic coefficients within density-functional perturbation theory and the "$2n+1$" theorem to calculate anharmonic…
We demonstrate that high-harmonic generation (HHG) in solids dominantly originates from strongly localized surface states through non-perturbative processes. Measurements reveal that HHG from bulk states is suppressed by at least 1-2 orders…
The fact that a disordered material is not constrained in its properties in the same way as a crystal presents significant and yet largely untapped potential for novel material design. However, unlike their crystalline counterparts,…
A first-principles approach called the {\it{self-consistent quasiharmonic approximation}} (SC-QHA) method is formulated to calculate the thermal expansion, thermomechanics, and thermodynamic functions of solids at finite temperatures with…