Related papers: Properties of Vacancy Formation in He-4 hcp Crysta…
In this paper, with the corresponding formula for internal energy obtained in Ref. [J. Phys. Stud. {\bf 11}, 259 (2007)], combined with a simple calculation of the effective mass of interacting Bose particles, the behavior of the heat…
We present zero-temperature simulations for the single-particle density of states of the Coulomb glass. Our results in three dimensions are consistent with the Efros and Shklovskii prediction for the density of states. Finite-temperature…
Extensive Path Integral Monte Carlo simulations of condensed para-Hydrogen in two dimensions at low temperature have been carried out. In the zero temperature limit, the system is a crystal at equilibrium, with a triangular lattice…
We propose a free-energy based Monte-Carlo method to measure the volume of potential-energy basins in configuration space. Using this approach we can estimate the number of distinct potential-energy minima, even when this number is much too…
The growth kinetics is studied of free-growing helium crystals within the temperature range 0.5-0.83 K and supersaturations to 10 mbar. For the pressure supersaturations above 0.5 mbar, numerous drastic changes are observed in the growth…
Certain models with purely repulsive pair interactions can form cluster crystals with multiply-occupied lattice sites. Simulating these models' equilibrium properties is, however, quite challenging. Here, we develop an expanded…
We report a high-pressure experimental and theoretical investigation of the structural properties of zircon-type HoVO4. Angle-dispersive x-ray diffraction measurements were carried out under quasi-hydrostatic and partial non-hydrostatic…
The atomic structure, energy of formation, and electronic states of vacancies in H-passivated Ge nanocrystals are studied by density functional theory (DFT) methods. The competition between quantum self-purification and the free surface…
A path integral Monte Carlo method based on the worm algorithm has been developed to compute the chemical potential of interacting bosonic quantum fluids. By applying it to finite-sized systems of helium-4 atoms, we have confirmed that the…
We studied a novel cooling method, in which $^3$He and $^4$He are mixed at the $^4$He crystallization pressure at temperatures below $0.5\,\mathrm{mK}$. We describe the experimental setup in detail, and present an analysis of its…
The ground state of hard-core bosons on the square lattice with nearest and next-nearest neighbor repulsion is studied by Quantum Monte Carlo simulations. A supersolid phase with vacancy condensation and 'star' diagonal ordering is found…
We consider both equilibrium and kinetic aspects of the phase separation (``thermal faceting") of thermodynamically unstable crystal surfaces into a hill--valley structure. The model we study is an Ising lattice gas for a simple cubic…
We have performed a microscopic study of a straight quantized vortex line in three dimensions in condensed $^4$He at zero temperature using the Shadow Path Integral Ground State method and the fixed-phase approximation. We have…
We show how accurate benchmark values of the surface formation energy of crystalline lithium hydride can be computed by the complementary techniques of quantum Monte Carlo (QMC) and wavefunction-based molecular quantum chemistry. To…
The thermodynamic behavior of a decaying vacuum cosmology describing the entire cosmological history evolving between two extreme (early and late time) de Sitter eras is investigated. The thermal evolution from the early de Sitter to the…
The probable observation of a supersolid helium phase was recently reported by Kim {\it et al}. In this article, we confirm their speculation. Based on a theoretical model for solid helium-4, we show that the emergence of such a phase is…
Variational and diffusion quantum Monte Carlo (VMC and DMC) calculations of the properties of the zero-temperature fermionic gas at unitarity are reported. The ratio of the energy of the interacting to the non-interacting gas for a system…
The high-pressure behavior of monoclinic VO$_2$ is revisited by a combination of Raman spectroscopy and X-ray diffraction on a single crystal under hydrostatic conditions at room temperature. A soft mode is observed up to P$_c$ = 13.9(1)…
The orthorhombic crystal structure of the novel molecular-inorganic polymer $\mathrm{K_{2}SeO_{4}\cdot H_{2}SeO_{3}}$ was elucidated using single-crystal X-ray diffraction with MoK$\alpha$ radiation ($\lambda$= 0.71073 {\AA}), performed at…
By means of a Quadratic Diffusion Monte Carlo method we have performed a comparative analysis between the Aziz potential and a revised version of it. The results demonstrate that the new potential produces a better description of the…