2,071 research outputs found
Temperature-dependent Raman scattering of KTa1-xNbxO3 thin films
We report a Raman scattering investigation of KTa1-xNbxO3 (x = 0.35, 0.5)
thin films deposited on MgO and LaAlO3 as a function of temperature. The
observed phase sequence in the range from 90 K to 720 K is similar to the
structural phase transitions of the end-member material KNbO3. Although similar
in the phase sequence, the actual temperatures observed for phase transition
temperatures are significantly different from those observed in the literature
for bulk samples. Namely, the tetragonal (ferroelectric) to cubic
(paraelectric) phase transition is up to 50 K higher in the films when compared
to bulk samples. This enhanced ferroelectricity is attributed to biaxial strain
in the investigated thin films
Model of Electronic Structure and Superconductivity in Orbitally Ordered FeSe
We provide a band structure with low-energy properties consistent with recent
photoemission and quantum oscillations measurements on FeSe, assuming
mean-field like s and/or d-wave orbital ordering at the structural transition.
We show how the resulting model provides a consistent explanation of the
temperature dependence of the measured Knight shift and the spin-relaxation
rate. Furthermore, the superconducting gap structure obtained from spin
fluctuation theory exhibits nodes on the electron pockets, consistent with the
'V'-shaped density of states obtained by tunneling spectroscopy on this
material, and the temperature dependence of the London penetration depth. Our
studies prove that the recent experimental observations of the electronic
properties of FeSe are consistent with orbital order, but leave open the
microscopic origin of the unusual band structure of this material.Comment: 12 pages, 15 figures, T.B hopping error corrected, d-wave orbital
order added, real space hoppings included in tex fil
Random local strain effects in homovalent-substituted relaxor ferroelectrics: a first-principles study of BaTi0.74Zr0.26O3
We present first-principles supercell calculations on BaTi0.74Zr0.26O3, a
prototype material for relaxors with a homovalent substitution. From a
statistical analysis of relaxed structures, we give evidence for four types of
Ti-atom polar displacements: along the , , or
directions of the cubic unit cell, or almost cancelled. The type of a Ti
displacement is entirely determined by the Ti/Zr distribution in the adjacent
unit cells. The underlying mechanism involves local strain effects that ensue
from the difference in size between the Ti4+ and Zr4+ cations. These results
shed light on the structural mechanisms that lead to disordered Ti
displacements in BaTi(1-x)Zr(x)O3 relaxors, and probably in other BaTiO3-based
relaxors with homovalent substitution.Comment: 5 pages, 4 figure
Pairing symmetry of the one-band Hubbard model in the paramagnetic weak-coupling limit: a numerical RPA study
We study the spin-fluctuation-mediated superconducting pairing gap in a
weak-coupling approach to the Hubbard model for a two dimensional square
lattice in the paramagnetic state. Performing a comprehensive theoretical study
of the phase diagram as a function of filling, we find that the superconducting
gap exhibits transitions from p-wave at very low electron fillings to
d_{x^2-y^2}-wave symmetry close to half filling in agreement with previous
reports. At intermediate filling levels, different gap symmetries appear as a
consequence of the changes in the Fermi surface topology and the associated
structure of the spin susceptibility. In particular, the vicinity of a van Hove
singularity in the electronic structure close to the Fermi level has important
consequences for the gap structure in favoring the otherwise sub-dominant
triplet solution over the singlet d-wave solution. By solving the full gap
equation, we find that the energetically favorable triplet solutions are chiral
and break time reversal symmetry. Finally, we also calculate the detailed
angular gap structure of the quasi-particle spectrum, and show how
spin-fluctuation-mediated pairing leads to significant deviations from the
first harmonics both in the singlet d_{x^2-y^2} gap as well as the chiral
triplet gap solution.Comment: 11 pages 11 figure
Interpretation of scanning tunneling quasiparticle interference and impurity states in cuprates
We apply a recently developed method combining first principles based Wannier
functions with solutions to the Bogoliubov-de Gennes equations to the problem
of interpreting STM data in cuprate superconductors. We show that the observed
images of Zn on the surface of BiSrCaCuO can only be understood
by accounting for the tails of the Cu Wannier functions, which include
significant weight on apical O sites in neighboring unit cells. This
calculation thus puts earlier crude "filter" theories on a microscopic
foundation and solves a long standing puzzle. We then study quasiparticle
interference phenomena induced by out-of-plane weak potential scatterers, and
show how patterns long observed in cuprates can be understood in terms of the
interference of Wannier functions above the surface. Our results show excellent
agreement with experiment and enable a better understanding of novel phenomena
in the cuprates via STM imaging.Comment: 5 pages, 5 figures, published version (Supplemental Material: 5
pages, 11 figures) for associated video file, see
http://itp.uni-frankfurt.de/~kreisel/QPI_BSCCO_BdG_p_W.mp
Bifurcated polarization rotation in bismuth-based piezoelectrics
ABO3 perovskite-type solid solutions display a large variety of structural and physical properties, which can be tuned by chemical composition or external parameters such as temperature, pressure, strain, electric, or magnetic fields. Some solid solutions show remarkably enhanced physical properties including colossal magnetoresistance or giant piezoelectricity. It has been recognized that structural distortions, competing on the local level, are key to understanding and tuning these remarkable properties, yet, it remains a challenge to experimentally observe such local structural details. Here, from neutron pair-distribution analysis, a temperature-dependent 3D atomic-level model of the lead-free piezoelectric perovskite Na0.5Bi0.5TiO3 (NBT) is reported. The statistical analysis of this model shows how local distortions compete, how this competition develops with temperature, and, in particular, how different polar displacements of Bi3+ cations coexist as a bifurcated polarization, highlighting the interest of Bi-based materials in the search for new lead-free piezoelectrics
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