相关论文: Role of zero-point effects in stabilizing the grou…

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…

The magnetic stability of {\delta}-plutonium is analyzed taking into account zero-point spin fluctuations. Within the generalized theory of spin fluctuations described within a simple phenomenological model neglecting its spatial dispersion…

First principles density functional calculations for Fe$_{2}$O$_{3}$ has been performed over a wide range of pressures. The ground state is corundum-type hematite and is an antiferromagnetic insulator. This is in good agreement with…

In order to improve the hydrogen storage properties of calcium hydride (CaH2), we have tuned its thermodynamical properties through fluorination. Using ab-initio total energy calculations based on density functional theory, the structural…

Plutonium dioxide is of high technological importance in nuclear fuel cycle and is particularly crucial in long-term storage of Pu-based radioactive waste. Using first-principles density-functional theory, in this paper we systematically…

The effects of magnetism on high pressure properties of transition metals and transition metal compounds can be quite important. In the case of Fe, magnetism is responsible for stability of the body-centered cubic (bcc) phase at ambient…

A possible role of quantum effects, such as tunneling and zero-point energy, in the structural dynamics of supercooled liquids is studied by dielectric spectroscopy. Presented results demonstrate that the liquids, bulk 3-methylpentane 3MP…

We investigate the structural and magnetic properties of Mn$_{2}$FeGa for different phases(cubic, hexagonal and tetragonal) reported experimentally using density functional theory. The relative structural stabilities, and the possible phase…

At high enough charge density, the homogeneous state of the D3-D7' model is unstable to fluctuations at nonzero momentum. We investigate the end point of this instability, finding a spatially modulated ground state, which is a charge and…

The importance of many-body effects on electronic and magnetic properties and stability of different structural phases was studied in novel iron oxide - Fe$_2$O. It was found that while Hubbard repulsion hardly affects the electronic…

Experimental data on the structure of ferroelectric oxide Bismuth Titanate suggests two different kinds of structures i.e. orthorhombic and monoclinic. We have performed density functional theory (DFT) based first principle calculations to…

The geometric phase has been proposed as a candidate for noise resilient coherent manipulation of fragile quantum systems. Since it is determined only by the path of the quantum state, the presence of noise fluctuations affects the…

Density functional theory calculations within the generalized gradient approximation are employed to study the ground state of Co2FeAl. Various magnetic configurations are considered to find out its most stable phase. The ferromagnetic…

I construct the ground state, up to first nonperturbative order, of the stochastic stabilization of the zero dimensional matrix model which defines 2D Quantum Gravity. It is given by the linear combination of a perturbative wave function…

Quantum fluctuations are ubiquitous in physics. Ranging from conventional examples like the harmonic oscillator to intricate theories on the origin of the universe, they alter virtually all aspects of matter -- including superconductivity,…

We report the results of a systematic investigation of the phase diagram of the iron-based superconductor system, Ba1-xNaxFe2As2, from x = 0.1 to x = 1.0 using high resolution neutron and x-ray diffraction and magnetization measurements. We…

Quantum nuclear zero-point motions in solid H$_2$ and D$_2$ under pressure are investigated at 80 K up to 160 GPa by first-principles path-integral molecular dynamics calculations. Molecular orientations are well-defined in phase II of…

The pressure evolution of the local structure of Fe2O3 hematite has been determined for the first time by extended x-ray absorption fine structure up to 79 GPa. The comparison to the different high-pressure forms proposed in the literature…

We conduct a theoretical study in which we determine the zero-point vacancy concentration in solid 4He at T=0 K. To this end, we employ the quantum-classical isomorphism, by which the quantum-mechanical probability density function of a…

We reveal the role of the spin variables' zero-point fluctuations (ZPFs) on the stability of Bloch point (BP) singularities. As topological solitons, BPs are important in topological transitions in nanomagnets. BPs present a singularity at…