Failure mechanisms of graphene under tension

Recent experiments established pure graphene as the strongest material known to mankind, further invigorating the question of how graphene fails. Using density functional theory, we reveal the mechanisms of mechanical failure of pure graphene under a generic state of tension. One failure mechanism is a novel soft-mode phonon instability of the $K_1$-mode, whereby the graphene sheet undergoes a phase transition and is driven towards isolated benzene rings resulting in a reduction of strength. The other is the usual elastic instability corresponding to a maximum in the stress-strain curve. Our results indicate that finite wave vector soft modes can be the key factor in limiting the strength of monolayer materials

High resolution X-ray scattering studies of structural phase transitions in underdoped La2−x_{2-x}Bax_xCuO4_4

We have studied structural phase transitions in high quality underdoped La$_{2-x}$Ba$_x$CuO$_4$ single crystals using high resolution x-ray scattering techniques. Critical properties associated with the continuous High Temperature Tetragonal (HTT, $I4/mmm$) to Middle Temperature Orthorhombic (MTO, $Cmca$) phase transition were investigated in single crystal samples with x=0.125, 0.095, and 0.08 and we find that all behavior is consistent with three dimensional XY criticality, as expected from theory. Power law behavior in the orthorhombic strain, 2(a-b)/(a+b), is observed over a remarkably wide temperature range, spanning most of the MTO regime in the phase diagram. Low temperature measurements investigating the Low Temperature Tetragonal (LTT, $P4_{2}/ncm$) phase, below the strongly discontinuous MTO$\to$LTT phase transition, in x=0.125 and x=0.095 samples show that the LTT phase is characterized by relatively broad Bragg scattering, compared with that observed at related wavevectors in the HTT phase. This shows that the LTT phase is either an admixture of tetragonal and orthorhombic phases, or that it is orthorhombic with very small orthorhombic strain, consistent with the ``less orthorhombic" low temperature structure previously reported in mixed La$_{2-x}$Sr$_{x-y}$Ba$_y$CuO$_4$ single crystals. We compare the complex temperature-composition phase diagram for the location of structural and superconducting phase transitions in underdoped La$_{2-x}$Ba$_x$CuO$_4$ and find good agreement with results obtained on polycrystalline samples.Comment: 8 pages, 7 figures, 1 tabl

Drought-stressed, irrigated, and additive-treated corn silages for growing cattle

Cattle fed drought-stressed corn silage gained about 10% slower but were just as efficient as cattle fed irrigated corn silage. Because the irrigated corn out yielded the drought corn (17.4 VS. 8.2 tons per acre), the irrigated silage gave a much higher cattle gain per acre (1928 VS. 940 1b). Silo Guard II®-treated silage had an advantage in DM recovery and feed conversion over its control and produced 4.6 more pounds of cattle gain per ton of crop ensiled. Cattle fed H/M Inoculant®- treated silage gained significantly faster than cattle fed the control, however, the treated silage gave only slight improvements in DM recovery and gain per ton of crop ensiled

Inelastic neutron and x-ray scattering as probes of the sign structure of the Fe-pnictide superconducting gap

Neutron spin-flip scattering observations of a resonance in the superconducting state is often taken as evidence of an unconventional superconducting state in which the gap changes sign $\Delta(k+Q)=-\Delta(k)$ for momentum transfers $Q$ which play an important role in the pairing. Recently questions regarding this identification for the Fe-pnictide superconductors have been raised and it has been suggested that $\Delta(k+Q)=\Delta(k)$. Here we propose that inelastic neutron or x-ray scattering measurements of the spectral weight of a phonon of momentum $Q$ can distinguish between these two pairing scenarios.Comment: 4 pages, 4 figure

Magnetism of the LTT phase of Eu doped La_{2-x}Sr_xCuO_4

The ESR signal of Gd spin probes (0.5 at %) as well as the static normal state susceptibility of Eu (J(Eu^{3+})=0) doped La_{2-x-y}Sr_xEu_yCuO_4 reveal pronounced changes of the Cu magnetism at the structural transition from the orthorhombic to the low temperature tetragonal phase for all non-superconducting compositions. Both a jumplike decrease of \chi as well as the ESR data show an increase of the in-plane magnetic correlation length in the LTT phase. From the Gd^{3+} ESR linewidth we find that for specific Eu and Sr concentrations in the LTT phase the correlation length increases up to more than 100 lattice constants and the fluctuation frequency of the CuO_2 spin system slows down to 10^{10}- 10^{11}sec^{-1}. However, there is no static order above T ~ 8K in contrast to the LTT phase of Nd doped La_{2-x}Sr_xCuO_4 with pinned stripe correlations.Comment: 7 pages, RevTex, 3 eps figures. To appear in the Proceedings of the International Conference "Stripes, Lattice Instabilities and High Tc Superconductivity", (Rome, Dec. 1996

Coexistence of Band Jahn Teller Distortion and superconductivity in correlated systems

The co-existence of band Jahn-Teller (BJT) effect with superconductivity (SC) is studied for correlated systems, with orbitally degenerate bands using a simple model. The Hubbard model for a doubly degenerate orbital with the on-site intraorbital Coulomb repulsion treated in the slave boson formalism and the interorbital Coulomb repulsion treated in the Hartree-Fock mean field approximation, describes the correlated system. The model further incorporates the BJT interaction and a pairing term to account for the lattice distortion and superconductivity respectively. It is found that structural distortion tends to suppress superconductivity and when SC sets in at low temperatures, the growth of the lattice distortion is arrested. The phase diagram comprising of the SC and structural transition temperatures $T_c$ and $T_s$ versus the dopant concentration $\delta$ reveals that the highest obtainable $T_c$ for an optimum doping is limited by structural transition. The dependence of the occupation probabilities of the different bands as well as the density of states (DOS) in the distorted-superconducting phase, on electron correlation has been discussed.Comment: RevTex, 4 pages, 4 figuers (postscript files attached) Journal Reference : Phys. Rev. B (accepted for publication

Stripes and spin-incommensurabilities are favored by lattice anisotropies

Structural distortions in cuprate materials give a natural origin for anisotropies in electron properties. We study a modified one-band t-J model in which we allow for different hoppings and antiferromagnetic couplings in the two spatial directions ($t_x \ne t_y$ and $J_x \ne J_y$). Incommensurate peaks in the spin structure factor show up only in the presence of a lattice anisotropy, whereas charge correlations, indicating enhanced fluctuations at incommensurate wave vectors, are almost unaffected with respect to the isotropic case.Comment: accepted for publication on Physical Review Letters, one color figur

Soft phonons and structural phase transitions in La1.875_{1.875}Ba0.125_{0.125}CuO4_{4}

Soft phonon behavior associated with a structural phase transition from the low-temperature-orthorhombic (LTO) phase ($Bmab$ symmetry) to the low-temperature-tetragonal (LTT) phase ($P4_{2}/ncm$ symmetry) was investigated in La$_{1.875}$Ba$_{0.125}$CuO$_{4}$ using neutron scattering. As temperature decreases, the TO-mode at $Z$-point softens and approaches to zero energy around $T_{\rm d2}=62$ K, where the LTO -- LTT transition occurs. Below $T_{\rm d2}$, the phonon hardens quite rapidly and it's energy almost saturates below 50 K. At $T_{\rm d2}$, the energy dispersion of the soft phonon along in-plane direction significantly changes while the dispersion along out-of-plane direction is almost temperature independent. Coexistence between the LTO phase and the LTT phase, seen in both the soft phonon spectra and the peak profiles of Bragg reflection, is discussed in context of the order of structural phase transitions.Comment: 6 pages, 8 figure

Phonon Properties of Knbo3 and Ktao3 from First-Principles Calculations

The frequencies of transverse-optical $\Gamma$ phonons in KNbO$_3$ and KTaO$_3$ are calculated in the frozen-phonon scheme making use of the full-potential linearized muffin-tin orbital method. The calculated frequencies in the cubic phase of KNbO$_3$ and in the tetragonal ferroelectric phase are in good agreement with experimental data. For KTaO$_3$, the effect of lattice volume was found to be substantial on the frequency of the soft mode, but rather small on the relative displacement patterns of atoms in all three modes of the $T_{1u}$ symmetry. The TO frequencies in KTaO$_3$ are found to be of the order of, but somehow higher than, the corresponding frequencies in cubic KNbO$_3$.Comment: 8 pages + 1 LaTeX figure, Revtex 3.0, SISSA-CM-94-00

Two-Photon Spectroscopy Between States of Opposite Parities

Magnetic- and electric-dipole two-photon absorption (MED-TPA), recently introduced as a new spectroscopic technique for studying transitions between states of opposite parities, is investigated from a theoretical point of view. A new approximation, referred to as {\it weak quasi-closure approximation}, is used together with symmetry adaptation techniques to calculate the transition amplitude between states having well-defined symmetry properties. Selection rules for MED-TPA are derived and compared to selection rules for parity-forbidden electric-dipole two-photon absorption (ED-TPA).Comment: 7 pages, Revtex File, to be published in Physical Review