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Vacancies are prevalent and versatile in solid-state physics and materials science. The role of vacancies in strongly correlated materials, however, remains uncultivated until now. Here, we report the discovery of an unprecedented vacancy…
We demonstrate dynamical control of the superradiant transition of cavity-BEC system via periodic driving of the pump laser. We show that the dominant density wave order of the superradiant state can be suppressed, and that the subdominant…
Building on large-scale quantum Monte Carlo simulations, we investigate the zero-temperature phase diagram of hard-core bosons in a random potential on site-centered Cayley trees with branching number $K=2$. In order to follow how the…
Metastability is a quintessential feature of first order quantum phase transitions, which is lost either by dynamical instability or by nucleating bubbles of a true vacuum through quantum tunneling. By considering a drive across the first…
The dynamical behavior of Bose-Einstein condensation (BEC) in a gas with attractive interactions is striking. Quantum theory predicts that BEC of a spatially homogeneous gas with attractive interactions is precluded by a conventional phase…
The vibrational spectra of solids, both ordered and amorphous, in the low-energy regime, control the thermal and transport properties of materials, from heat capacity to heat conduction, electron-phonon couplings, conventional…
The phenomenon of metastability can shape dynamical processes on all temporal and spatial scales. Here, we induce metastable dynamics by pumping ultracold bosonic atoms from the lowest band of an optical lattice to an excitation band, via a…
The density of vibrational states $g(\omega)$ of an amorphous system is studied by using the random-matrix theory. Taking into account the most important correlations between elements of the random matrix of the system, equations for the…
Quantum vortices naturally emerge in rotating Bose-Einstein condensates (BECs) and, similarly to their classical counterparts, allow the study of a range of interesting out-of-equilibrium phenomena like turbulence and chaos. However, the…
Hydrogen (H) content modifies the creep response of Fe-based alloys by altering thermodynamics of point-defects; here we identify the electronic-structure mechanism underlying this effect. Using spin-polarized first-principles calculations…
Employing ab initio calculations, we discuss chemical, mechanical, and dynamical stability of MoN-TaN solid solutions together with cubic-like MoN/TaN superlattices, as another materials design concept. Hexagonal-type structures based on…
The requirement that planetary systems be dynamically stable is often used to vet new discoveries or set limits on unconstrained masses or orbital elements. This is typically carried out via computationally expensive N-body simulations. We…
Many Bayesian Network structure learning algorithms are unstable, with the learned graph sensitive to arbitrary dataset artifacts, such as the ordering of columns (i.e., variable order). PC-Stable attempts to address this issue for the…
With the help of Monte Carlo simulations and a mean-field theory, we investigate the ordered steady-state structures resulting from the motion of a single vacancy on a periodic lattice which is filled with two species of oppositely…
We propose an efficient ab initio framework to compute the Gibbs energy of the transition state in vacancy-mediated diffusion including the relevant thermal excitations at density-functional-theory level. With the aid of a bespoke…
A first-principles based methodology for efficiently and accurately finding thermodynamically stable and metastable atomic structures is introduced and benchmarked. The approach is demonstrated for gas-phase metal-oxide clusters in…
This study employed hybrid Monte Carlo Molecular Dynamics simulations to investigate the short-range ordering behavior of Ni-based superalloys doped with boron or carbon. The simulations revealed that both boron and carbon dissociated from…
The crystal structure of the iron oxide gamma-Fe2O3 is usually reported in either the cubic system (space group P4332) with partial Fe vacancy disorder or in the tetragonal system (space group P41212) with full site ordering and c/a\approx…
Despite vibrational properties being critical for the ab initio prediction of the finite temperature stability and transport properties of solids, their inclusion in ab initio materials repositories has been hindered by expensive…
Melting behaviors of defective crystals under extreme conditions are theoretically investigated using the statistical moment method. In our theoretical model, heating processes cause missing atoms or vacancies in crystal structures via…