Searcharxiv⌕ Search

arXiv subjects

H. Rosner

Publications and source records attributed to H. Rosner.

At least 91 records · Page 5Linked to original sources

New insight into the physics of iron pnictides from optical and penetration depth data

We report theoretical values for the unscreened plasma frequencies Omega_p of several Fe pnictides obtained from DFT based calculations within the LDA and compare them with experimental plasma frequencies obtained from reflectivity data. The sizable renormalization observed for all considered compounds points to the presence of many-body effects beyond the LDA. From the large empirical background dielectric constant of about 12-15, we estimate a large arsenic polarizability of about 9.5 +- 1.2 Angstroem^3 where the details depend on the polarizabilities of the remaining ions taken from the literature. This large polarizability can significantly reduce the value of the Coulomb repulsion U_d about 4 eV on iron known from iron oxides to a level of 2 eV or below. In general, this result points to rather strong polaronic effects as suggested by G.A. Sawatzky et al., in Refs. arXiv:0808.1390 and arXiv:0811.0214 (Berciu et al.). Possible consequences for the conditions of a formation of bipolarons are discussed, too. From the extrapolated muon spin rotation penetration depth data at T= 0 and the experimental Omega_p we estimate the total coupling constant lambda_tot for the el-boson interaction within the Eliashberg-theory adopting a single band approximation. For LaFeAsO_0.9F_0.1 a weak to intermediately strong coupling regime and a quasi-clean limit behaviour are found. For a pronounced multiband case we obtain a constraint for various intraband coupling constants which in principle allows for a sizable strong coupling in bands with either slow electrons or holes.

cond-mat.supr-con↗

Electronic properties of LaOFFeAs in the normal state probed by NMR/NQR

We report 139La, 57Fe and 75As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements on powders of the new LaO1-xFxFeAs superconductor for x = 0 and x = 0.1 at temperatures up to 480 K, and compare our measured NQR spectra with local density approximation (LDA) calculations. For all three nuclei in the x = 0.1 material, it is found that the local Knight shift increases monotonically with an increase in temperature, and scales with the macroscopic susceptibility, suggesting a single magnetic degree of freedom. Surprisingly, the spin lattice relaxation rates for all nuclei also scale with one another, despite the fact that the form factors for each site sample different regions of q-space. This result suggests a lack of any q-space structure in the dynamical spin susceptibility that might be expected in the presence of antiferromagnetic correlations. Rather, our results are more compatible with simple quasi-particle scattering. Furthermore, we find that the increase in the electric field gradient at the As cannot be accounted for by LDA calculations, suggesting that structural changes, in particular the position of the As in the unit cell, dominate the NQR response.

cond-mat.supr-con↗

Analysis of the electric field gradient in the perovskites SrTiO3 and BaTiO3: density functional and model calculations

We analyze recent measurements [R. Blinc, V. V. Laguta, B. Zalar, M. Itoh and H. Krakauer, J. Phys. : Cond. Mat., v.20, 085204 (2008)] of the electric field gradient on the oxygen site in the perovskites SrTiO3 and BaTiO3, which revealed, in agreement with calculations, a large difference in the EFG for these two compounds. In order to analyze the origin of this difference, we have performed density functional electronic structure calculations within the local-orbital scheme FPLO. Our analysis yields the counter-intuitive behavior that the EFG increases upon lattice expansion. Applying the standard model for perovskites, the effective two-level p-d Hamiltonian, can not explain the observed behavior. In order to describe the EFG dependence correctly, a model beyond this usually sufficient p-d Hamiltonian is needed. We demonstrate that the counter-intuitive increase of the EFG upon lattice expansion can be explained by a s-p-d model, containing the contribution of the oxygen 2s states to the crystal field on the Ti site. The proposed model extension is of general relevance for all related transition metal oxides with similar crystal structure.

cond-mat.mtrl-sci↗

Superconductivity and Field-Induced Magnetism in SrFe_1.75Co_0.25As_2

Using muon-spin rotation, we studied the in-plane (λ_ab) and the out of plane (λ_c) magnetic field penetration depth in SrFe_1.75Co_0.25As_2 (T_c=13.3 K). Both λ_ab(T) and λ_c(T) are consistent with the presence of two superconducting gaps with the gap to T_c ratios 2Δ/k_BT_c=7.2 and 2.7. The penetration depth anisotropy γ_λ=λ_c/λ_ab increases from γ_λ=2.1 at T_c to 2.7 at 1.6 K. The mean internal field in the superconducting state increases with decreasing temperature, just opposite to the diamagnetic response seen in magnetization experiments. This unusual behavior suggests that the external field induces a magnetic order which is maintained throughout the whole sample volume.

cond-mat.supr-con↗

Superfluid Density and Energy Gap-Function of Superconducting PrPt4Ge12

The filled skutterudite superconductor PrPt4Ge12 was studied in muon-spin rotation (muSR), specific heat, and electrical resistivity experiments. The continuous increase of the superfluid density with decreasing temperature and the dependence of the magnetic penetration depth λon the magnetic field obtained by means of muSR, as well as the observation of a T^3 dependence of the electronic specific heat establish the presence of point-like nodes in the superconducting energy gap. The energy gap was found to be well described by Δ=Δ_0| k_x - ik_y| or Δ= Δ_0(1 - k_y^4) functional forms, similar to that obtained for another skutterudite superconductor, PrOs4Sb12. The gap to T_c ratios were estimated to be Δ_0/k_BT_c = 2.68(5) and 2.29(5), respectively.

cond-mat.supr-con↗

Orbital-spin order and the origin of structural distortion in MgTi$_2$O$_4$

We analyze electronic, magnetic, and structural properties of the spinel compound MgTi$_2$O$_4$ using the local density approximation+U method. We show how MgTi$_2$O$_4$ undergoes to a canted orbital-spin ordered state, where charge, spin and orbital degrees of freedom are frozen in a geometrically frustrated network by electron interactions. In our picture orbital order stabilize the magnetic ground state and controls the degree of structural distortions. The latter is dynamically derived from the cubic structure in the correlated LDA+U potential. Our ground-state theory provides a consistent picture for the dimerized phase of MgTi$_2$O$_4$, and might be applicable to frustrated materials in general.

cond-mat.other↗

Self-Doping Induced Orbital-Selective Mott Transition in Hg2Ru2O7

Pyrochlore oxides are fascinating systems where strong, multi-orbital correlations in concert with geometrical frustration give rise to unanticipated physical properties. The detailed mechanism of the insulator-metal transitions (IMT) underpinning these phenomena is, however, ill-understood in general. Motivated thereby, we study the IMT in the pyrochlore ${\rm Hg_{2}Ru_{2}O_{7}}$ using LDA+DMFT. In contrast to the well-known examples of Mott transitions in TMO, we show that, in the negative charge-transfer situation characteristic of \hg, self-doping plays a crucial role in the emergence of an orbital-selective IMT. We argue that this mechanism has broader relevance to other correlated pyrochlore oxides.

cond-mat.str-el↗

Excitation of a bosonic mode by electron tunneling into a cuprate superconductor

We performed scanning tunneling spectroscopic experiments on hole-doped NdBa$_2$Cu$_3$O$_{7-δ}$. The d$I$/d$V$ curves obtained at 4.2 K are asymmetric with clear peak-dip and hump structures. Energy derivatives of these curves show peaks at energies beyond the dip features. Highly precise full potential bandstructure calculations confirm a featureless electronic density of states in that energy region. Our results indicate that tunneling electrons couple to a collective mode in the CuO$_2$ plane.

cond-mat.supr-con↗

Effect of pressure on the magnetostructural transition in SrFe2As2

We present a systematic pressure study of poly- and single crystalline SrFe2As2 by electrical resistivity and X-ray diffraction measurements. SrFe2As2 exhibits a structural phase transition from a tetragonal to an orthorhombic phase at T0=205 K. The structural phase transition is intimately linked to a spin-density-wave transition taking place at the same temperature. Our pressure experiments show that T0 shifts to lower temperatures with increasing pressure. We can estimate a critical pressure of 4 to 5 GPa for the suppression of T0 to zero temperature. At pressures above 2.5 GPa the resistivity decreases significantly below Tx=40 K hinting at the emergence of superconductivity but no zero-resistance state is observed up to 3 GPa.

cond-mat.supr-con↗

Mottness underpins the anomalous optical response of Iron Pnictides

The recent discovery of high-temperature superconductivity (HTSC) in doped Iron pnictides is the latest example of unanticipated behavior exhibited by $d$- and $f$-band materials. The symmetry of the SC gap, along with the mechanism of its emergence from the ``normal'' state is a central issue in this context. Here, motivated by a host of experimental signatures suggesting strong correlations in the Fe-pnictides, we undertake a detailed study of their normal state. Focussing on symmetry-unbroken phases, we use the correlated band structure method, LDA+DMFT, to study the one-particle responses of both ${\rm LaO_{1-x}FeAsF_{x}}$ and ${\rm SmO_{1-x}FeAsF_{x}}$ in detail. Basing ourselves on excellent quantitative agreement between LDA+DMFT and key experiments probing the one-particle responses, we extend our study, undertaking the first detailed study of their normal state electrodynamic response. In particular, we propose that near-total normal state incoherence, resulting from strong, {\it local} correlations in the Fe $d$-shell in Fe-pnictides, underpins the incoherent normal state transport found in these materials, and discuss the specific electronic mechanisms leading to such behavior. We also discuss the implications of our work for the multi-band nature of the SC by studying the pairing ``glue'' function, which we find to be an overdamped, electronic continuum. Similarities and differences between cuprates and Fe-pnictides are also touched upon. Our study supports the view that SC in Fe-pnictides arises from a bad metallic, incoherent ``normal'' state that is proximate to a Mott insulator.

cond-mat.supr-con↗

Modified kagome physics in the natural spin-1/2 kagome lattice systems - kapellasite Cu3Zn(OH)6Cl2 and haydeeite Cu3Mg(OH)6Cl2

The recently discovered natural minerals Cu3Zn(OH)6Cl2 and Cu3Mg(OH)6Cl2 are spin 1/2 systems with an ideal kagome geometry. Based on electronic structure calculations, we develop a realistic model which includes couplings across the kagome hexagons beyond the original kagome model that are intrinsic in real kagome materials. Exact diagonalization studies for the derived model reveal a strong impact of these couplings on the magnetic ground state. Our predictions could be compared to and supplied with neutron scattering, thermodynamic and NMR data.

cond-mat.str-el↗

Magnetic properties of BaCdVO(PO_4)_2: a strongly frustrated spin-1/2 square lattice close to the quantum critical regime

We report magnetization and specific heat measurements on polycrystalline samples of BaCdVO(PO_4)_2 and show that this compound is a S=1/2 frustrated square lattice with ferromagnetic nearest-neighbor (J_1) and antiferromagnetic next-nearest-neighbor (J_2) interactions. The coupling constants J_1\simeq -3.6 K and J_2\simeq 3.2 K are determined from a fitting of the susceptibility data and confirmed by an analysis of the saturation field (H_s=4.2 T), the specific heat, and the magnetic entropy. BaCdVO(PO_4)_2 undergoes magnetic ordering at about 1 K, likely towards a columnar antiferromagnetic state. We find that BaCdVO(PO_4)_2 with the frustration ratio α=J_2/J_1\simeq -0.9 is closer to a critical (quantum spin liquid) region of the frustrated square lattice than any of the previously reported compounds. Positive curvature of the magnetization curve is observed in agreement with recent theoretical predictions for high-field properties of the frustrated square lattice close to the critical regime.

cond-mat.str-el↗

Possible re-entrant superconductivity in EuFe2As2 under pressure

We studied the temperature-pressure phase diagram of EuFe2As2 by measurements of the electrical resistivity. The antiferromagnetic spin-density-wave transition at T_0 associated with the FeAs-layers is continuously suppressed with increasing pressure, while the antiferromagnetic ordering temperature of the Eu 2+ moments seems to be nearly pressure independent up to 2.6 GPa. Above 2 GPa a sharp drop of the resistivity, ρ(T), indicates the onset of superconductivity at T_c \approx 29.5 K. Surprisingly, on further reducing the temperature ρ(T) is increasing again and exhibiting a maximum caused by the ordering of the Eu 2+ moments, a behavior which is reminiscent of re-entrant superconductivity as it is observed in the ternary Chevrel phases or in the rare-earth nickel borocarbides.

cond-mat.supr-con↗

Strong frustration due to competing ferromagnetic and antiferromagnetic interactions: magnetic properties of M(VO)2(PO4)2 (M = Ca and Sr)

We present a detailed investigation of the magnetic properties of complex vanadium phosphates M(VO)2(PO4)2 (M = Ca, Sr) by means of magnetization, specific heat, 31P NMR measurements, and band structure calculations. Experimental data evidence the presence of ferro- and antiferromagnetic interactions in M(VO)2(PO4)2 resulting in a nearly vanishing Curie-Weiss temperature θ_{CW} < 1 K that contrasts with the maximum of magnetic susceptibility at 3 K. Specific heat and NMR measurements also reveal weak exchange couplings with the thermodynamic energy scale J_c = 10-15 K. Additionally, the reduced maximum of the magnetic specific heat indicates strong frustration of the spin system. Band structure calculations show that the spin systems of the M(VO)2(PO4)2 compounds are essentially three-dimensional with the frustration caused by competing ferro- and antiferromagnetic interactions. Both calcium and strontium compounds undergo antiferromagnetic long-range ordering at T_N = 1.5 K and 1.9 K, respectively. The spin model reveals an unusual example of controllable frustration in three-dimensional magnetic systems.

cond-mat.str-el↗

Intrinsic peculiarities of real material realizations of a spin-1/2 kagome lattice

Spin-1/2 magnets with kagome geometry, being for years a generic object of theoretical investigations, have few real material realizations. Recently, a DFT-based microscopic model for two such materials, kapellasite Cu3Zn(OH)6Cl2 and haydeeite Cu3Mg(OH)6Cl2, was presented [O. Janson, J. Richter and H. Rosner, arXiv:0806.1592]. Here, we focus on the intrinsic properties of real spin-1/2 kagome materials having influence on the magnetic ground state and the low-temperature excitations. We find that the values of exchange integrals are strongly dependent on O--H distance inside the hydroxyl groups, present in most spin-1/2 kagome compounds up to date. Besides the original kagome model, considering only the nearest neighbour exchange, we emphasize the crucial role of the exchange along the diagonals of the kagome lattice.

cond-mat.str-el↗

Superconductivity in SrFe_(2-x)Co_xAs_2: Internal Doping of the Iron Arsenide Layers

In the electron doped compounds SrFe_(2-x)Co_xAs_2 superconductivity with T_c up to 20 K is observed for 0.2 < x < 0.4. Results of structure determination, magnetic susceptibility, electrical resistivity, and specific heat are reported. The observation of bulk superconductivity in all thermodynamic properties -- despite strong disorder in the Fe-As layer -- favors an itinerant picture in contrast to the cuprates and renders a p- or d-wave scenario unlikely. DFT calculations find that the substitution of Fe by Co (x > 0.3) leads to the suppression of the magnetic ordering present in SrFe_2As_2 due to a rigid down-shift of the Fe-3d_(x^2-y^2) related band edge in the density of states.

cond-mat.supr-con↗

Temperature dependent optical conductivity of undoped cuprates with weak exchange

The optical conductivity sigma(omega) is calculated at finite temperature T for CuO_2 chain clusters within a pd-Hubbard model. Data at T = 300 K for Li_2CuO_2 are reanalyzed within this approach. The relative weights of Zhang-Rice singlet and triplet charge excitations near 2.5 and 4 eV, respectively, depend strongly on T, and a rather dramatic dependence of sigma(omega) on the ratio of the first to second neighbor exchange integrals is predicted. On the basis of these results, information about exchange interactionsfor frustrated edge-shared cuprates can be obtained from T-dependent optical spectra. Our results are also relevant for magnetically weakly coupled wide-gap insulators in general.

cond-mat.str-el↗