Strukturna i elektronska svojstva bbc selena pod visokim tlakom

Full-potential linearized augmented plane-wave method (FP-LAPW) within the density functional theory is applied to study the structural and electronic properties of selenium in the bcc phase at high pressures. We used local density approximation with and without generalized gradient correction based on exchange-correlation energy optimization. We have determined the full set of first-order elastic constants, which have not been established earlier experimentally or theoretically. The elastic moduli show linear dependence on pressure. The calculated energy allowed us to investigate several structural properties such as lattice parameter, bulk modulus and its pressure derivative. Our calculated lattice parameter is found to be in reasonable agreement with experimental result. The electronic band structure and the density of states at various pressures are also calculated to show that there is a possibility for these compounds to become metallic at high pressures. Further, we have calculated the electronic specific heat coefficient, which decreases with the increase of pressure.Primjenom metode lineariziranih proširenih ravnih valova s potpunim potencijalom, u okviru teorije funkcionala gustoće, proučavali smo strukturna i elektronska svojstva selena u bcc fazi na visokim tlakovima. Primijenili smo približenje lokalne gustoće sa i bez poopćene gradijentne popravke primjenom optimizacije energije korelacije i izmjene. Odredili smo potpun skup elestičnih konstanti prvog reda koje ranije nisu bile određene ni eksperimentalno ni teorijski. Moduli eleastičnosti pokazuju linearnu ovisnost o tlaku. Na osnovi izračunatih energija mogli smo istražiti više strukturnih svojstava, kao što su parametar rešetke, volumni modul stlačivosti i njegova derivacija po tlaku. Naš izračunat parametar rešetke je u dobrom slaganju s eksperimentalnim rezultatom. Također smo izračunali strukturu elekronskih vrpci i gustoće stanja da bismo ukazali na mogućnost da na visokim tlakovima selen u fazi bcc može postati metal. Nadalje, izračunali smo koeficijent elektronske specifične topline koji se smanjuje s porastom tlaka

Strukturna i elektronska svojstva bbc selena pod visokim tlakom

Full-potential linearized augmented plane-wave method (FP-LAPW) within the density functional theory is applied to study the structural and electronic properties of selenium in the bcc phase at high pressures. We used local density approximation with and without generalized gradient correction based on exchange-correlation energy optimization. We have determined the full set of first-order elastic constants, which have not been established earlier experimentally or theoretically. The elastic moduli show linear dependence on pressure. The calculated energy allowed us to investigate several structural properties such as lattice parameter, bulk modulus and its pressure derivative. Our calculated lattice parameter is found to be in reasonable agreement with experimental result. The electronic band structure and the density of states at various pressures are also calculated to show that there is a possibility for these compounds to become metallic at high pressures. Further, we have calculated the electronic specific heat coefficient, which decreases with the increase of pressure.Primjenom metode lineariziranih proširenih ravnih valova s potpunim potencijalom, u okviru teorije funkcionala gustoće, proučavali smo strukturna i elektronska svojstva selena u bcc fazi na visokim tlakovima. Primijenili smo približenje lokalne gustoće sa i bez poopćene gradijentne popravke primjenom optimizacije energije korelacije i izmjene. Odredili smo potpun skup elestičnih konstanti prvog reda koje ranije nisu bile određene ni eksperimentalno ni teorijski. Moduli eleastičnosti pokazuju linearnu ovisnost o tlaku. Na osnovi izračunatih energija mogli smo istražiti više strukturnih svojstava, kao što su parametar rešetke, volumni modul stlačivosti i njegova derivacija po tlaku. Naš izračunat parametar rešetke je u dobrom slaganju s eksperimentalnim rezultatom. Također smo izračunali strukturu elekronskih vrpci i gustoće stanja da bismo ukazali na mogućnost da na visokim tlakovima selen u fazi bcc može postati metal. Nadalje, izračunali smo koeficijent elektronske specifične topline koji se smanjuje s porastom tlaka

Pressure-induced phonon-freezing in the ZnBeSe alloy: a study via the percolation mesoscope

We use the 1-bond -> 2-phonon percolation doublet of zincblende alloys as a mesoscope for an unusual insight into their phonon behavior under pressure. We focus on (Zn,Be)Se and show by Raman scattering that the original Be-Se doublet at ambient pressure, of the stretching-bending type, turns into a pure-bending singlet at the approach of the high-pressure ZnSe-like rocksalt phase, an unnatural one for the Be-Se bonds. The freezing of the Be-Se stretching mode is discussed within the scope of the percolation model (mesoscopic scale), with ab initio calculations in support (microscopic scale).Comment: 11 pages, 3 figure

Constraints on the χ_(c1) versus χ_(c2) polarizations in proton-proton collisions at √s = 8 TeV

The polarizations of promptly produced χ_(c1) and χ_(c2) mesons are studied using data collected by the CMS experiment at the LHC, in proton-proton collisions at √s=8  TeV. The χ_c states are reconstructed via their radiative decays χ_c → J/ψγ, with the photons being measured through conversions to e⁺e⁻, which allows the two states to be well resolved. The polarizations are measured in the helicity frame, through the analysis of the χ_(c2) to χ_(c1) yield ratio as a function of the polar or azimuthal angle of the positive muon emitted in the J/ψ → μ⁺μ⁻ decay, in three bins of J/ψ transverse momentum. While no differences are seen between the two states in terms of azimuthal decay angle distributions, they are observed to have significantly different polar anisotropies. The measurement favors a scenario where at least one of the two states is strongly polarized along the helicity quantization axis, in agreement with nonrelativistic quantum chromodynamics predictions. This is the first measurement of significantly polarized quarkonia produced at high transverse momentum