Related papers: Linking quantum mechanical features to structural …
A quantitative descriptor of local atomic environments is often required for the analysis of atomistic data. Descriptors of the local atomic environment ideally provide physically and chemically intuitive insight. This requires descriptors…
We develope a theory of a fundamental effect of the interaction-induced decoherence of the electron wave function in a disordered metal. With the aid of the Keldysh technique and the path integral formalism we derive a formally exact…
THz-frequency optical pulses can resonantly drive selected vibrational modes in solids and deform their crystal structure. In complex oxides, this method has been used to melt electronic orders, drive insulator to metal transitions or…
We study lattice effects in strongly coupled systems of fermions at a finite density described by a holographic dual consisting of fermions in Anti-de-Sitter space in the presence of a Reissner-Nordstrom black hole. The lattice effect is…
Two-dimensional quantum materials offer a robust platform for investigating the emergence of symmetry-broken ordered phases owing to the high tuneability of their electronic properties. For instance, the ability to create new electronic…
The pressure dependence of a large number of phonon modes in CaFe2As2 with energies covering the full range of the phonon spectrum has been studied using inelastic x-ray and neutron scattering. The observed phonon frequency changes are in…
Using a model of spinless fermions in a lattice with nearest neighbor and next-nearest neighbor interaction we show that the entropy of the reduced two site density matrix (the bond entropy) can be used as an extremely accurate and easy to…
The quantum phase transitions of dipoles confined to the vertices of two dimensional (2D) lattices of square and triangular geometry is studied using path integral ground state quantum Monte Carlo (PIGS). We analyze the phase diagram as a…
Experiments on chains of Rydberg atoms appear as a new playground to study quantum phase transitions in 1D. As a natural extension, we report a quantitative ground-state phase diagram of Rydberg atoms arranged in a two-leg ladder that…
We examine the onset of Anderson localization in three-dimensional systems with structural disorder in the form of lattice irregularities and in the absence of any on-site disordered potential. Analyzing two models with distinct types of…
With the development of electronic structure theory, a new class of materials - quantum ones has been recognized by the community. Traditionally, it has been believed that the properties of such compounds cannot be described within the…
We study ground-state quantum entanglement in the one-dimensional Bose-Hubbard model in the presence of a harmonic trap. We focus on two transitions that occur upon increasing the characteristic particle density: the formation of a…
Predicting the compositional phase stability of strongly correlated electron materials is an outstanding challenge in condensed matter physics, requiring precise computations of total energies. In this work, we employ the density functional…
In this paper we present detailed M\"ossbauer spectroscopy study of structural and magnetic properties of the undoped parent compound CaFe$_2$As$_2$ single crystal. By fitting the temperature dependence of the hyperfine magnetic field we…
The breakdown of the lattice Kondo effect in local-moment metals can lead to non-trivial forms of quantum criticality and a variety of non-Fermi-liquid phases. Given indications that Kondo-breakdown transitions involve criticality not only…
We show that dynamical quantum phase transitions (DQPTs) in the quench dynamics of two-dimensional topological systems can be characterized by a dynamical topological invariant defined along an appropriately chosen closed contour in…
We investigate optically induced phase transitions in the two-dimensional (2D) ferroelectric (FE) material Nb2O2I4 using real-time time-dependent density functional theory (rt-TDDFT). Our results demonstrate that tailored laser pulses can…
Materials with coupled or competing order parameters display highly tunable ground states, where subtle perturbations reveal distinct electronic and magnetic phases. These phases generally are underpinned by complex crystal structures, but…
Recent development of ultrashort laser pulses allows for optical control of structural and electronic properties of complex quantum materials. The layered transition metal dichalcogenide MoTe2, which can crystalize into several different…
Mechanical metamaterials are periodic lattice structures with complex unit cell architectures that can achieve extraordinary mechanical properties beyond the capability of bulk materials. A new class of metamaterials is proposed, whose…