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

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

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

Image of the Energy Gap Anisotropy in the Vibrational Spectum of a High Temperature Superconductor

We present a new method of determining the anisotropy of the gap function in layered high-Tc superconductors. Careful inelastic neutron scattering measurements at low temperature of the phonon dispersion curves in the (100) direction in La_(1.85)Sr_(.15)CuO_4 would determine whether the gap is predominately s-wave or d-wave. We also propose an experiment to determine the gap at each point on a quasi-two-dimensional Fermi surface.Comment: 12 pages + 2 figures (included

Neutron scattering study of soft phonons and diffuse scattering in insulating La1.95_{1.95}Sr0.05_{0.05}CuO4_{4}

Soft phonons and diffuse scattering in insulating La$_{2-x}$Sr$_{x}$CuO$_4$ ($x=0.05$) have been studied by the neutron scattering technique. The X-point phonon softens from high temperature towards the structural transition temperature $T_{s}=410$ K, and the Z-point phonon softens again below 200 K. The Z-point phonon softening persists to low temperature, in contrast to the behavior observed in the superconducting $x=0.15$ compound, in which the Z-point phonon hardens below $T_c$. The diffuse scattering associated with the structural phase transition at 410 K appears at commensurate positions. These results highlight interesting differences between superconducting and insulating samples.Comment: 5 pages, 5 figure

Spin Dynamics in the LTT Phase of ~1/8 Doped Single Crystal La_{1.67}Eu_{0.2}Sr_{0.13}CuO_4

We present La and Cu NMR relaxation measurements in single crystal La_{1.67}Eu_{0.2}Sr_{0.13}CuO_4. A strong peak in the La spin-lattice relaxation rate observed in the spin ordered state is well-described by the BPP mechanism[1] and arises from continuous slowing of electronic spin fluctuations with decreasing temperature; these spin fluctuations exhibit XY-like anisotropy in the ordered state. The spin pseudogap is enhanced by the static charge-stripe order in the LTT phase.Comment: Four pages, three figure

Diagonal static spin correlation in the low temperature orthorhombic Pccn phase of La1.55Nd0.4Sr0.05CuO4

Elastic neutron scattering measurements have been performed on Nd, Sr co-doped La1.55Nd0.4Sr0.05CuO4, which exhibits a structural phase transition at Ts ~ 60K from the low temperature orthorhombic Bmab phase (labelled LTO1) to the low temperature orthorhombic Pccn phase (labelled LTO2). At low temperatures, well below Ts, elastic magnetic peaks are observed at the ``diagonal'' incommensurate (IC) positions (0, 1+/-0.055, 0), with modulation direction only along the orthorhombic b-axis just as in Nd-free La1.95Sr0.05CuO4. In the present study, the one-dimensionality of the IC modulation, which is naturally explained by a stripe model, is clearly demonstrated with our "single-domain" crystal. The temperature dependence of the IC peak intensity suggests a substantial contribution from the Nd3+ spins below ~3K. Consistent with this, the L dependence of the magnetic scattering is accurately accounted for by a model in which the contribution of the Nd3+ spins is explicitly included.Comment: 8 pages, 8 figure