Related papers: Linking quantum mechanical features to structural …
Quantum electrodynamics in 1 + 1D (QED2) shares intriguing properties with QCD, including confinement, string breaking, and interesting phase diagram when the non-trivial topological $\theta$-term is considered. Its lattice regularization…
We consider sudden quenches across quantum phase transitions in the $S=1$ XXZ model starting from the Haldane phase. We demonstrate that dynamical phase transitions may occur during these quenches that are identified by nonanalyticities in…
The exploration of phase diagrams of strongly interacting gauge theories coupled to matter in lower dimensions promises the identification of exotic phases and possible new universality classes, and it facilitates a better understanding of…
Pyrochlore systems ($A_{2}B_{2}O_{7}$) with $A$-site rare-earth local moments and $B$-site $5d$ conduction electrons offer excellent material platforms for the discovery of exotic quantum many-body ground states. Notable examples include…
Materials which can undergo slow diffusive transformations as well as fast displacive transformations are studied using the phase-field method. The model captures the essential features of the time-temperature-transformation (TTT) diagrams,…
Excursions far from their equilibrium structures can bring crystalline solids through collective transformations including transitions into new phases that may be transient or long-lived. Direct spectroscopic observation of…
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…
We introduce a variational wave function based on Neural-Network Quantum States (NQS) to study lattice systems whose local Hilbert space contains both spin and fermionic degrees of freedom. Our approach is based on the use of the…
Metal-insulator transitions in two dimensional materials represent a great opportunity for fast, low energy and ultra-dense switching devices. Due to the small energy difference between its semimetallic and semiconducting crystal phases,…
We present a study of the structural phase transition, mechanical and thermodynamic properties of UO$_{2}$ by means of the local density approximation (LDA)$+U$ approach. A phase transition pressure of 40 GPa, which agrees well with the…
The ground-state 4f fine-structure levels in the intrinsic optical transition gaps between the 2p and 5d orbitals of lanthanide sesquioxides (Ln2O3, Ln=La...Lu) were calculated by a two-way crossover search for the U parameters for DFT+U…
We introduce a discrete-time quantum dynamics on a two-dimensional lattice that describes the evolution of a $1+1$-dimensional spin system. The underlying quantum map is constructed such that the reduced state at each time step is…
Tungsten ditelluride (WTe2) is a layered material that exhibits excellent magnetoresistance and thermoelectric behaviors, which are deeply related with its distorted orthorhombic phase that may critically affect the lattice dynamics. Here,…
The model of two electrons with Coulomb interaction on a two-dimensional (2D) disordered lattice is considered. It is shown that the interaction can give a sharp transition to delocalized states in a way similar to the Anderson transition…
Moir\'e superlattices can induce correlated-electronic phases in twisted van-der-Waals materials. Strongly correlated quantum phenomena emerge, such as superconductivity and the Mott-insulating state. However, moir\'e superlattices produced…
Understanding complex correlated oxides and their phase transitions has long been a challenge. The difficulty largely arises from the intriguing interplay between multiple degrees of freedoms. While degeneracy can play an important role in…
1T'-TaTe2 exhibits an intriguing first-order structural phase transition at around 170 K. Understanding the electronic structural properties is a crucial way to comprehend the origin of the structural phase transition. We performed a…
Exploiting vibrational excitation for the dynamic control of material properties is an attractive goal with wide-ranging technological potential. Most metal-to-insulator transitions are mediated by few structural modes and are thus ideal…
In this paper we present the 1-loop perturbative computation of the renormalization constants and mixing coefficients of the lattice quark operators of rank three whose hadronic elements enter in the determination of the second moment of…
This work involves the local structural investigation of the samples using Extended X-ray Absorption Spectra (EXAFS) analysis to investigate structural changes due to the Ca and Mn-modified BaTiO3. TEM investigation of the crystal structure…