Related papers: Anharmonicity Measure for Materials
It is known that one can characterize the decoherence strength of a Markovian environment by the product of its temperature and induced damping, and order the decoherence strength of multiple environments by this quantity. We show that for…
Density functional perturbation theory is a well-established method to study responses of molecules and solids, especially responses to atomic displacements or to different perturbing fields (electric, magnetic). Like for density functional…
We present in this paper an approach for computing the homogenized behavior of a medium that is a small random perturbation of a periodic reference material. The random perturbation we consider is, in a sense made precise in our work, a…
The electronic structure of heavy elements, when described in a space-time which the metric is affected by the electromagnetic interaction, presents instabilities. These instabilities increase with the atomic number, and above a critical…
We review recent progress in applying information- and computation-theoretic measures to describe material structure that transcends previous methods based on exact geometric symmetries. We discuss the necessary theoretical background for…
Macroscopic behavior such as the lack of interference patterns has been attributed to "decoherence", a word with several possible definitions such as (1) the loss of off-diagonal density matrix elements, (2) the flow of information to the…
Understanding heat transport in semiconductors and insulators is of fundamental importance because of its technological impact in electronics and renewable energy harvesting and conversion. Anharmonic Lattice Dynamics provides a powerful…
Recent developments in materials informatics and artificial intelligence has led to the emergence of foundational energy models for material chemistry, as represented by the suite of MACE-based foundation models, bringing a significant…
Accurately predicting lattice thermal conductivity (kL) from first principles remains a challenge in identifying materials with extreme thermal behavior. While modern lattice dynamics methods enable routine predictions of kL within the…
Various interference effects are known to exist in the process of high harmonic generation (HHG) both at the single atom and macroscopic levels. In particular, the quantum path difference between the long and short trajectories of electron…
Quantum metrology based on quantum entanglement and quantum coherence improves the accuracy of measurement. In this paper, we briefly review the schemes of quantum metrology in various complex systems, including non-Markovian noise,…
Mechanical disorder in solids, which is generated by a broad range of physical processes and controls various material properties, appears in a wide variety of forms. Defining unified and measurable dimensionless quantifiers, allowing…
We combine ab initio simulations and Raman scattering measurements to demonstrate explicit anharmonic effects in the temperature dependent dielectric response of a NaCl single crystal. We measure the temperature evolution of its Raman…
Lie-algebraic and quantum-algebraic techniques are used in the analysis of thermodynamic properties of molecules and solids. The local anharmonic effects are described by a Morse-like potential associated with the $su(2)$ algebra. A…
The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline…
Randomized measurements constitute a simple measurement primitive that exploits the information encoded in the outcome statistics of samples of local quantum measurements defined through randomly selected bases. In this work we exploit the…
Strain in a material induces shifts in vibrational frequencies, which is a probe of the nature of the vibrations and interatomic potentials, and can be used to map local stress/strain distributions via Raman microscopy. This method is…
Given the significance of physical measures in understanding the complexity of dynamical systems as well as the noisy nature of real-world systems, investigating the stability of physical measures under noise perturbations is undoubtedly a…
Local positional disorder in soft, anharmonic materials has emerged as a central factor in shaping their electronic, vibrational, optical, and transport properties. Viewed mainly as a source of performance degradation, recent theoretical…
We review recent rigorous mathematical results about the macroscopic behaviour of harmonic chains with the dynamics perturbed by a random exchange of velocities between nearest neighbor particles. The random exchange models the effects of…