Related papers: Influence of Anharmonic Effects on the Zero-point …
Vacancy mechanism plays a dominant role in the atomic migration when a close-packed disordered alloy undergoes ordering transition. However, the calculation of thermal vacancy formation energies (VFEs) of random solid solutions is usually…
Defects are believed to play a fundamental role in the supersolid state of 4He. We have studied solid 4He in two dimensions (2D) as function of the number of vacancies n_v, up to 30, inserted in the initial configuration at rho = 0.0765…
The Quasi-harmonic (QH) approximation uses harmonic vibrational frequencies omega(H,Q,V), computed at volumes V near the volume where the Born-Oppenheimer (BO) energy is minimum. When this is used in the harmonic free energy, QH…
We propose an approach to calculate the anharmonic part of the volumetric-strain and temperature dependent free energy of a crystal. The method strikes an effective balance between accuracy and computational efficiency, showing a $\times10$…
Recent theoretical and experimental work on solid He-4 has focused on vacancies, or other lattice defects and whether these can form a Bose-Einstein condensate within the solid. The earliest suggestion that this could happen was based on…
According to the Heisenberg uncertainty principle of quantum mechanics, particles which are localized in space by a bounding potential must have a finite distribution of momenta. This leads, even in the lowest-possible energy state, to…
The phonon spectrum of the high-pressure simple cubic phase of calcium, in the harmonic approx- imation, shows imaginary branches that make it mechanically unstable. In this letter, the phonon spectrum is recalculated using…
We show that for a detector rotating in a random classical zero-point electromagnetic or massless scalar field at T=0 thermal effects exist. The rotating reference system is constructed as an infinite set of Frenet-Seret tetrads defined so…
We study the thermodynamics of Bose-Einstein condensation in a weakly interacting quasi-homogeneous atomic gas, prepared in an optical-box trap. We characterise the critical point for condensation and observe saturation of the thermal…
We provide a formulation of quantum mechanics based on the cohomology of the Batalin-Vilkovisky (BV) algebra. Focusing on quantum-mechanical systems without gauge symmetry we introduce a homotopy retract from the chain complex of the…
We show that, for a detector rotating in a random classical zero-point electromagnetic or massless scalar field at zero temperature, thermal effects exist. The rotating reference system is constructed as an infinite set of Frenet-Seret…
We investigate the structural and thermodynamic properties of high-pressure ice by incorporating quantum anharmonicity at a non-perturbative level. Quantum fluctuations reduce the critical pressure of the phase transition between phase VIII…
We have investigated the influence of impurities on the possible supersolid transition by systematically enriching isotopically-pure 4He (< 1 ppb of 3He) with 3He. The onset of nonclassical rotational inertia is broadened and shifts…
The self-consistent harmonic approximation is an effective harmonic theory to calculate the free energy of systems with strongly anharmonic atomic vibrations, and its stochastic implementation has proved to be an efficient method to study,…
The temperature dependence of the one-body density matrix in 4He crystals presenting vacancies is computed with Path Integral Monte Carlo. The main purpose of this study is to estimate the onset temperature T_0 of Bose-Einstein condensation…
We show that quantum fluctuations of electromagnetic fields induce an additional zero-point energy in solids, which scales with the volume. For insulators, the zero-point energy density is proportional to quantum fluctuation of electric…
We examine the influence of the main approximations employed in density-functional theory descriptions of the solid phase of molecular hydrogen near dissociation. We consider the importance of nuclear quantum effects on equilibrium…
The renormalization of the vacuum energy in quantum field theory (QFT) is usually plagued with theoretical conundrums related not only with the renormalization procedure itself, but also with the fact that the final result leads usually to…
Quantum effects in statistical mechanics are important when the thermal wavelength is of the order of, or greater than, the mean interatomic spacing. This is examined at depth taking the example of a hard-sphere Boltzmann gas. Using the…
We have investigated the ground state properties of solid $^4$He with the Shadow Path Integral Ground State method. This exact T=0 K projector method allows to describes quantum solids without introducing any a priori equilibrium position.…