Search results for "density [astrophysics]"
showing 10 items of 561 documents
Quantum critical point in a periodic Anderson model
2000
We investigate the symmetric Periodic Anderson Model (PAM) on a three-dimensional cubic lattice with nearest-neighbor hopping and hybridization matrix elements. Using Gutzwiller's variational method and the Hubbard-III approximation (which corresponds to the exact solution of an appropriate Falicov-Kimball model in infinite dimensions) we demonstrate the existence of a quantum critical point at zero temperature. Below a critical value $V_c$ of the hybridization (or above a critical interaction $U_c$) the system is an {\em insulator} in Gutzwiller's and a {\em semi-metal} in Hubbard's approach, whereas above $V_c$ (below $U_c$) it behaves like a metal in both approximations. These prediction…
Superfluidity of fermionic pairs in a harmonic trap. Comparative studies: Local Density Approximation and Bogoliubov-de Gennes solutions
2020
Abstract Experiments with ultracold gases on the lattice give the opportunity to realize superfluid fermionic mixtures in a trapping potential. The external trap modifies the chemical potential locally. Moreover, this trap also introduces non-homogeneity in the superconducting order parameter. There are, among other approaches, two methods which can be used to describe the system of two-component mixtures loaded into an optical lattice: the Local Density Approximation (LDA) and the self-consistent Bogoliubov–de Gennes equations. Here, we compare results obtained within these two methods. We conclude that the results can be distinguishable only in the case of a small value of the pairing int…
Flat-band superconductivity in periodically strained graphene: mean-field and Berezinskii–Kosterlitz–Thouless transition
2019
In the search of high-temperature superconductivity one option is to focus on increasing the density of electronic states. Here we study both the normal and $s$-wave superconducting state properties of periodically strained graphene, which exhibits approximate flat bands with a high density of states, with the flatness tunable by the strain profile. We generalize earlier results regarding a one-dimensional harmonic strain to arbitrary periodic strain fields, and further extend the results by calculating the superfluid weight and the Berezinskii-Kosterlitz-Thouless (BKT) transition temperature $T_\text{BKT}$ to determine the true transition point. By numerically solving the self-consistency …
Specific features of the electronic structure of III–VI layered semiconductors: recent results on structural and optical measurements under pressure …
2003
In this paper we review some recent results on the electronic structure of III-VI layered semiconductors and its dependence under pressure, stressing the specific features that differentiate their behaviour from that of tetrahedrally coordinated semiconductors. We will focus on several unexpected results that have led to changes in the image that was currently accepted a few years ago. Intralayer bond angles change under pressure and the layer thickness remains virtually constant or increases. As a consequence, models based in intra- and inter-layer deformation potentials fail in explaining the low pressure nonlinearity of the band gap. Numerical-atomic-orbital/density-functional-theory ele…
Effect of Pressure on Direct Optical Transitions of ?-InSe
2000
We have investigated the effect of hydrostatic pressure on direct optical transitions of the layered semiconductor γ-InSe by photoreflectance (PR) spectroscopy (T = 300 K). In addition, electroreflectance (ER) measurements were performed at ambient pressure. Six structures are resolved in the ER spectra in the energy range from 1.1 to 3.6 eV. The pressure dependence of four of these structures was determined by PR spectroscopy for pressures up to 8 GPa. In order to assign the features observed above the fundamental gap we have carried out band structure calculations for InSe at ambient pressure using a full-potential linear augmented plane wave method. Based on calculated band gap deformati…
Pressure measurements of TO-phonon anharmonicity in isotopic ZnS
2004
We have measured the dependence on pressure of the line-widths of the TO and LO Raman phonons of β-ZnS. In order to enhance the phenomena observed, and to eliminate possible effects of isotopic disorder, we have measured a nearly isotopically pure crystal, 68 Zn 32 S. The strongly structured pressure effects observed are interpreted on the basis of anharmonic decay and the corresponding two-phonon density of states.
Lattice dynamics of the fluoride scheelite CaZnF4
2000
The lattice dynamics of the fluoride scheelite CaZnF4 have been investigated by means of infrared reflectivity and Raman scattering. The measured phonon modes have been assigned to the various irreducible representations of the point group of the crystal. The phonon dispersion curves, density of states and sound velocities have been calculated within a rigid-ion model based on experimental zone-centre phonons.
Calculations of the atomic and electronic structure for SrTiO3 perovskite thin films
2001
The results of calculations of SrTiO3 (100) surface relaxation and rumpling with two different terminations (SrO and TiO2) are presented and discussed. We have used the ab initio Hartree–Fock (HF) method with electron correlation corrections and the density functional theory (DFT) with different exchange–correlation functionals, including hybrid exchange techniques. All methods agree well on surface energies and on atomic displacements, as well as on the considerable increase of covalency effects near the surface. More detailed experiments on surface rumpling and relaxation are necessary for further testing of theoretical predictions.
First-principles phonon calculations of Fe4+impurity in SrTiO3
2012
The results of hybrid density functional theory calculations on phonons in Sr(Fe(x)Ti(1-x))O(3) solid solution within the formalism of a linear combination of atomic orbitals are presented. The phonon density of states (DOS) calculated for 6.25% Fe(4+) impurities is reported and defect-induced phonon modes are identified. Based on our calculations and group-theoretical analysis, we suggest for the first time an interpretation of experimentally observed Raman- and IR-active modes.
Semiconducting half-Heusler and LiGaGe structure type compounds
2009
Compounds with LiAlSi (half-Heusler) and LiGaGe structure types have been investigated by means of band structure calculations. The LiAlSi structure type is known as the half-Heusler structure type, whereas LiGaGe is a closely related hexagonal variant. A remarkable feature of some XYZ half-Heusler compounds with 8 and 18 valence electrons is, that despite being composed of only metallic elements, they are semiconductors. More than 100 semiconducting compounds within these structure types are known. LiGaGe compounds have an additional degree of freedom, namely the degree of puckering of the layers. These compounds can become semiconducting at a certain degree of puckering. Half-metallic beh…