Covalency and the metal-insulator transition in titanate and vanadate perovskites

A combination of density functional and dynamical mean-field theory is applied to the perovskites SrVO$_3$, LaTiO$_3$ and LaVO$_3$. We show that DFT+DMFT in conjunction with the standard fully localized-limit (FLL) double-counting predicts that LaTiO$_3$ and LaVO$_3$ are metals even though experimentally they are correlation-driven ("Mott") insulators. In addition, the FLL double counting implies a splitting between oxygen $p$ and transition metal $d$ levels which differs from experiment. Introducing into the theory an \textit{ad hoc} double counting correction which reproduces the experimentally measured insulating gap leads also to a $p$-$d$ splitting consistent with experiment if the on-site interaction $U$ is chosen in a relatively narrow range ($\sim 6\pm 1$ eV). The results indicate that these early transition metal oxides will serve as critical test for the formulation of a general \textit{ab initio} theory of correlated electron metals.Comment: 5 pages, 3 figure

On "the authentic damping mechanism" of the phonon damping model

Some general features of the phonon damping model are presented. It is concluded that the fits performed within this model have no physical content

Neutron transition strengths of 21+2^+_1 states in the neutron rich Oxygen isotopes determined from inelastic proton scattering

A coupled-channel analysis of the $^{18,20,22}$O$(p,p')$ data has been performed to determine the neutron transition strengths of 2$^+_1$ states in Oxygen targets, using the microscopic optical potential and inelastic form factor calculated in the folding model. A complex density- and \emph{isospin} dependent version of the CDM3Y6 interaction was constructed, based on the Brueckner-Hatree-Fock calculation of nuclear matter, for the folding model input. Given an accurate isovector density dependence of the CDM3Y6 interaction, the isoscalar ($\delta_0$) and isovector ($\delta_1$) deformation lengths of 2$^+_1$ states in $^{18,20,22}$O have been extracted from the folding model analysis of the $(p,p')$ data. A specific $N$-dependence of $\delta_0$ and $\delta_1$ has been established which can be linked to the neutron shell closure occurring at $N$ approaching 16. The strongest isovector deformation was found for 2$^+_1$ state in $^{20}$O, with $\delta_1$ about 2.5 times larger than $\delta_0$, which indicates a strong core polarization by the valence neutrons in $^{20}$O. The ratios of the neutron/proton transition matrix elements ($M_n/M_p$) determined for 2$^+_1$ states in $^{18,20}$O have been compared to those deduced from the mirror symmetry, using the measured $B(E2)$ values of 2$^+_1$ states in the proton rich $^{18}$Ne and $^{20}$Mg nuclei, to discuss the isospin impurity in the $2^+_1$ excitation of the $A=18,T=1$ and $A=20,T=2$ isobars.Comment: Version accepted for publication in Physical Review

Ultrafast Molecular Imaging by Laser Induced Electron Diffraction

We address the feasibility of imaging geometric and orbital structure of a polyatomic molecule on an attosecond time-scale using the laser induced electron diffraction (LIED) technique. We present numerical results for the highest molecular orbitals of the CO2 molecule excited by a near infrared few-cycle laser pulse. The molecular geometry (bond-lengths) is determined within 3% of accuracy from a diffraction pattern which also reflects the nodal properties of the initial molecular orbital. Robustness of the structure determination is discussed with respect to vibrational and rotational motions with a complete interpretation of the laser-induced mechanisms

Lipid and Protein Transfer between Nanolipoprotein Particles and Supported Lipid Bilayers.

A nanolipoprotein particle (NLP) is a lipid bilayer disc stabilized by two amphipathic "scaffold" apolipoproteins. It has been most notably utilized as a tool for solubilizing a variety of membrane proteins while preserving structural and functional properties. Transfer of functional proteins from NLPs into model membrane systems such as supported lipid bilayers (SLBs) would enable new opportunities, for example, two-dimensional protein crystallization and studies on protein-protein interactions. This work used fluorescence microscopy and atomic force microscopy to investigate the interaction between NLPs and SLBs. When incubated with SLBs, NLPs were found to spontaneously deliver lipid and protein cargo. The impact of membrane composition on lipid exchange was explored, revealing a positive correlation between the magnitude of lipid transfer and concentration of defects in the target SLB. Incorporation of lipids capable of binding specifically to polyhistidine tags encoded into the apolipoproteins also boosted transfer of NLP cargo. Optimal conditions for lipid and protein delivery from NLPs to SLBs are proposed based on interaction mechanisms

An Experiment on a CO2 Air Conditioning System with Copper Heat Exchangers

This paper presented an experiment on a CO2 air conditioning system with copper heat exchangers. In this study, the compressor and cooler were tested with hydraulic method to determine the deformed and torn temperatures. The results show that conventional compressor is not suitable for using high pressure, due to the COP of cycle is very low (0.5 only). With CO2 compressor, the cycle can be achieved COP of 3.07 at the evaporative temperature of 10C. This value equals with COP of commercial air conditioning system presently

Laser induced electron diffraction: a tool for molecular orbital imaging

We explore the laser-induced ionization dynamics of N2 and CO2 molecules subjected to a few-cycle, linearly polarized, 800\,nm laser pulse using effective two-dimensional single active electron time-dependent quantum simulations. We show that the electron recollision process taking place after an initial tunnel ionization stage results in quantum interference patterns in the energy resolved photo-electron signals. If the molecule is initially aligned perpendicular to the field polarization, the position and relative heights of the associated fringes can be related to the molecular geometrical and orbital structure, using a simple inversion algorithm which takes into account the symmetry of the initial molecular orbital from which the ionized electron is produced. We show that it is possible to extract inter-atomic distances in the molecule from an averaged photon-electron signal with an accuracy of a few percents