Strain-induced interface reconstruction in epitaxial heterostructures

We investigate in the framework of Landau theory the distortion of the strain fields at the interface of two dissimilar ferroelastic oxides that undergo a structural cubic-to-tetragonal phase transition. Simple analytical solutions are derived for the dilatational and the order parameter strains that are globally valid over the whole of the heterostructure. The solutions reveal that the dilatational strain exhibits compression close to the interface which may in turn affect the electronic properties in that region.Comment: 7 pages, 5 figures, to be published in Physical Review

Piezoelectricity and electrostriction in ferroelastic materials with polar twin boundaries and domain junctions

Weak piezoelectricity, compared with electrostriction, occurs in twinned ferroelastic materials even when the uniform bulk material is centro-symmetric. In a simple computer simulation, polarity is exclusively generated by the flexoelectric effect. Simple twinned structures (parallel twin walls) are electrostrictive and show no piezoelectricity. Complex twinned structures break inversion symmetry by the simultaneous appearance of junctions, kinks, needle domains, etc. Such structures show weak piezoelectricity (d ∼ 10−4 pm/V) under periodic boundary conditions together with significant electrostriction. The macroscopic piezoelectric response is stronger (d ∼ 10−3 pm/V) under free boundary conditions due to the effect of relaxing surfaces.EPSR

Effect of internal friction on transformation twin dynamics in SrxBa1-xSnO3 perovskite

The dynamics of transformation twins in SrxBa1-xSnO3 (x=0.6,0.8) perovskite has been studied by dynamical mechanical analysis in three-point bend geometry. This material undergoes phase transitions from orthorhombic to tetragonal and cubic structures on heating. The mechanical loss signatures of the transformation twins include relaxation and frequency-independent peaks in the orthorhombic and tetragonal phases, with no observed energy dissipation in the cubic phase. The macroscopic shape, orientation and relative displacements of twin walls have been calculated from bending and anisotropy energies. The mechanical loss angle and distribution of relaxation time are discussed in term of bending modes of domain walls.Comment: 20 pages, 4 figure

Tin telluride: a weakly co-elastic metal

We report resonant ultrasound spectroscopy (RUS), dilatometry/magnetostriction, magnetotransport, magnetization, specific heat, and $^{119}$Sn M\"ossbauer spectroscopy measurements on SnTe and Sn$_{0.995}$Cr$_{0.005}$Te. Hall measurements at $T=77$ K indicate that our Bridgman-grown single crystals have a $p$-type carrier concentration of $3.4 \times 10^{19}$ cm$^{-3}$ and that our Cr-doped crystals have an $n$-type concentration of $5.8 \times 10^{22}$ cm$^{-3}$. Although our SnTe crystals are diamagnetic over the temperature range $2\, \text{K} \leq T \leq 1100\, \text{K}$, the Cr-doped crystals are room temperature ferromagnets with a Curie temperature of 294 K. For each sample type, three-terminal capacitive dilatometry measurements detect a subtle 0.5 micron distortion at $T_c \approx 85$ K. Whereas our RUS measurements on SnTe show elastic hardening near the structural transition, pointing to co-elastic behavior, similar measurements on Sn$_{0.995}$Cr$_{0.005}$Te show a pronounced softening, pointing to ferroelastic behavior. Effective Debye temperature, $\theta_D$, values of SnTe obtained from $^{119}$Sn M\"ossbauer studies show a hardening of phonons in the range 60--115K ($\theta_D$ = 162K) as compared with the 100--300K range ($\theta_D$ = 150K). In addition, a precursor softening extending over approximately 100 K anticipates this collapse at the critical temperature, and quantitative analysis over three decades of its reduced modulus finds $\Delta C_{44}/C_{44}=A|(T-T_0)/T_0|^{-\kappa}$ with $\kappa = 0.50 \pm 0.02$, a value indicating a three-dimensional softening of phonon branches at a temperature $T_0 \sim 75$ K, considerably below $T_c$. We suggest that the differences in these two types of elastic behaviors lie in the absence of elastic domain wall motion in the one case and their nucleation in the other

Optimal interlayer hopping and high temperature Bose–Einstein condensation of local pairs in quasi 2D superconductors

Both FeSe and cuprate superconductors are quasi 2D materials with high transition temperatures and local fermion pairs. Motivated by such systems, we investigate real space pairing of fermions in an anisotropic lattice model with intersite attraction, V, and strong local Coulomb repulsion, U, leading to a determination of the optimal conditions for superconductivity from Bose–Einstein condensation. Our aim is to gain insight as to why high temperature superconductors tend to be quasi 2D. We make both analytically and numerically exact solutions for two body local pairing applicable to intermediate and strong V. We find that the Bose–Einstein condensation temperature of such local pairs pairs is maximal when hopping between layers is intermediate relative to in-plane hopping, indicating that the quasi 2D nature of unconventional superconductors has an important contribution to their high transition temperatures

High-pressure synthesis, crystal and electronic structures of a new scandium tungstate, Sc0.67WO4

Negative thermal expansion (NTE) materials possess a low-density, open structure which can respond to high pressure conditions, leading to new compounds and/or different physical properties. Here we report that one such NTE material -- white, insulating, orthorhombic Sc2W3O12 -- transforms into a black compound when treated at 4 GPa and 1400 oC. The high pressure phase, Sc0.67WO4, crystallizes in a defect-rich wolframite-type structure, a dense, monoclinic structure (space group P2/c) containing 1-D chains of edge-sharing WO6 octahedra. The chemical bonding of Sc0.67WO4 vis-a-vis the ambient pressure Sc2W3O12 phase can be understood on the basis of the Sc defect structure. Magnetic susceptibility, resistivity, thermoelectric power and IR spectroscopic measurements reveal that Sc0.67WO4 is a paramagnet whose conductivity is that of a metal in the presence of weak localization and electron-electron interactions. Oxygen vacancies are suggested as a potential mechanism for generating the carriers in this defective wolframite material.Comment: 29 pages total, 1 table, 7 figure

Antiferromagnetic correlations in Fe-Cu granular alloys: the role of the surface structure

Fe precipitates in a Cufcc matrix, prepared using the Bridgeman method and with an average composition of Cu97Fe3, displayed the coexistence of ferromagnetism ~FM!, spin glass-like ~SGL! behavior and antiferromagnetic ~AFM! correlations. The two former contributions may be attributed, respectively, to the segregation of FM, a-Febcc precipitates and to the few Fe spins distributed in the matrix. The annealing procedures increased the FM contribution and, as particle growth and phase segregation took place, the SGL behavior progressively disappeared. Results from high resolution transmission electron microscopy ~HRTEM!, x-ray photoelectron spectroscopy ~XPS!, and electron energy-loss spectroscopy ~EELS! suggest that the AFM correlations are due to the a-Fe particles that show a surface layer of a few nanometers in thickness, of either FeO and/or g-Fefcc . XPS and EELS measurements confirm the presence of FeO; however, the latter is only tentatively suggested by the HRTEM analysis of the particle/matrix interfaces

Optical conductivity of polaronic charge carriers

The optical conductivity of charge carriers coupled to quantum phonons is studied in the framework of the one-dimensional spinless Holstein model. For one electron, variational diagonalisation yields exact results in the thermodynamic limit, whereas at finite carrier density analytical approximations based on previous work on single-particle spectral functions are obtained. Particular emphasis is put on deviations from weak-coupling, small-polaron or one-electron theories occurring at intermediate coupling and/or finite carrier density. The analytical results are in surprisingly good agreement with exact data, and exhibit the characteristic polaronic excitations observed in experiments on manganites.Comment: 23 pages, 11 figure