Simulations of cubic-tetragonal ferroelastics

We study domain patterns in cubic-tetragonal ferroelastics by solving numerically equations of motion derived from a Landau model of the phase transition, including dissipative stresses. Our system sizes, of up to 256^3 points, are large enough to reveal many structures observed experimentally. Most patterns found at late stages in the relaxation are multiply banded; all three tetragonal variants appear, but inequivalently. Two of the variants form broad primary bands; the third intrudes into the others to form narrow secondary bands with the hosts. On colliding with walls between the primary variants, the third either terminates or forms a chevron. The multipy banded patterns, with the two domain sizes, the chevrons and the terminations, are seen in the microscopy of zirconia and other cubic-tetragonal ferroelastics. We examine also transient structures obtained much earlier in the relaxation; these show the above features and others also observed in experiment.Comment: 7 pages, 6 colour figures not embedded in text. Major revisions in conten

Theory of Metal-Insulator Transition in PrRu4P12 and PrFe4P12

All symmetry allowed couplings between the 4f^2-electron ground state doublet of trivalent praseodymium in PrRu4P12 and PrFe4P12 and displacements of the phosphorus, iron or ruthenium ions are considered. Two types of displacements can change the crystal lattice from body-centred cubic to simple orthorhombic or to simple cubic. The first type lowers the point group symmetry from tetrahedral to orthorhombic, while the second type leaves it unchanged, with corresponding space group reductions Im3 --> Pmmm and Im3 --> Pm3 respectively. In former case, the lower point-group symmetry splits the degeneracy of the 4f^2 doublet into states with opposite quadrupole moment, which then leads to anti-quadrupolar ordering, as in PrFe4P12. Either kind of displacement may conspire with nesting of the Fermi surface to cause the metal-insulator or partial metal-insulator transition observed in PrFe4P12 and PrRu4P12. We investigate this scenario using band-structure calculations, and it is found that displacements of the phosphorus ions in PrRu4P12 (with space group reduction Im3 --> Pm3) open a gap everywhere on the Fermi surface.Comment: 6 page

Impurity induced density of states and residual transport in nonunitary superconductors

We obtain general expressions for the residual density of states, electrical conductivity and thermal conductivity for non-unitary superconductors due to impurity scattering. We apply the results to the so-called `B phase' of PrOs4Sb12, which we describe using a non-unitary gap function derived from symmetry considerations. The conductivity tensor has inequivalent diagonal components due to off-axis nodal positions which may be detectable in experiments.Comment: 8 pages, 1 figur

Corrigendum to “Femur associated with the Deep Skull from the West Mouth of the Niah Caves (Sarawak, Malaysia)” [Journal of Human Evolution 127 (2019) 133–148](S0047248418301520)(10.1016/j.jhevol.2018.12.008)

In the original analyses of the Deep Skull femoral midshaft section, anteroposterior (AP) and mediolateral (ML) orientations were transposed, that is, AP and ML second moments of area, as well as linear external breadths, were reversed. Cross-sectional properties were also calculated using an approximate method employing radiographic breadths, while a more accurate method using actual periosteal and endosteal contours is possible given that a complete section is available (MomentMacro; https://fae.johnshopkins.edu/chris-ruff/). When this method is applied and orientations are corrected, the following properties are obtained. C.B. Ruff has been added to the author list of this article as he carried out the analyses that resulted in the new cross-sectional properties. [Table presented] The authors apologize for the original error

Order parameter in superconductors with non-degenerate bands

In noncentrosymmetric metals, the spin degeneracy of the electronic bands is lifted by spin-orbit coupling. We consider general symmetry properties of the pairing function Delta(k) in noncentrosymmetric superconductors with spin-orbit coupling (NSC), including CePt3Si, UIr and Cd2Re2O7. We find that Delta(k) = chi(k) t(k), where chi(k) is an even function which transforms according to the irreducible representations of the crystallographic point group and t(k) is a model dependent phase factor. We consider tunnelling between a NSC and a conventional superconductor. It is found that, in terms of thermodynamical properties as well as the Josephson effect, the state of NSC resembles a singlet superconducting state with gap function chi(k).Comment: 8 pages, references updated. Accepted to PR

Superconducting states in the tetrahedral compound PrOs4Sb12

We find possible superconducting states for tetrahedral (Th) symmetry crystals with strong spin-orbit coupling using Landau theory. Additional symmetry breaking within the superconducting state is considered. We discuss nodes of the gap functions for the different states, secondary superconducting order parameters and coupling to the elastic strain. By comparing our results to experiments, we find that superconductivity in PrOs4Sb12 is best described by the three-dimensional representations of point group Th.Comment: 9 pages, 2 figures. Expanded version submitted to Physical Review

Quantum Oscillations of Electrons and of Composite Fermions in Two Dimensions: Beyond the Luttinger Expansion

Quantum oscillation phenomena, in conventional 2-dimensional electron systems and in the fractional quantum Hall effect, are usually treated in the Lifshitz-Kosevich formalism. This is justified in three dimensions by Luttinger's expansion, in the parameter $omega_c/\mu$. We show that in two dimensions this expansion breaks down, and derive a new expression, exact in the limit where rainbow graphs dominate the self-energy. Application of our results to the fractional quantum Hall effect near half-filling shows very strong deviations from Lifshitz-Kosevich behaviour. We expect that such deviations will be important in any strongly-interacting 2-dimensional electronic system.Comment: 4 pages, 3 figures, LaTe

Metallic "Ferroelectricity" in the Pyrochlore Cd2Re2O7

A class of materials known as ``ferroelectric metals'' was discussed theoretically by Anderson and Blount in 1965 [Phys. Rev. Lett. 14, 217 (1965)], but to date no examples of this class have been reported. Here we present measurements of the elastic moduli of Cd2Re2O7 through the 200 K cubic-to-tetragonal phase transition. A Landau analysis of the moduli reveals that the transition is consistent with Cd2Re2O7 being classified as a ``ferroelectric metal'' in the weaker sense described by Anderson and Blount (loss of a center of symmetry). First-principles calculations of the lattice instabilities indicate that the dominant lattice instability corresponds to a two-fold degenerate mode with Eu symmetry, and that motions of the O ions forming the O octahedra dominate the energetics of the transition.Comment: 4 pages, 2 figure

Twin wall of cubic-tetragonal ferroelastics

We derive solutions for the twin wall linking two tetragonal variants of the cubic-tetragonal ferroelastic transformation, including for the first time the dilatational and shear energies and strains. Our solutions satisfy the compatibility relations exactly and are obtained at all temperatures. They require four non-vanishing strains except at the Barsch-Krumhansl temperature TBK (where only the two deviatoric strains are needed). Between the critical temperature and TBK, material in the wall region is dilated, while below TBK it is compressed. In agreement with experiment and more general theory, the twin wall lies in a cubic 110-type plane. We obtain the wall energy numerically as a function of temperature and we derive a simple estimate which agrees well with these values.Comment: 4 pages (revtex), 3 figure

Statics and dynamics of domain patterns in hexagonal-orthorhombic ferroelastics

We study the statics and the dynamics of domain patterns in proper hexagonal-orthorhombic ferroelastics; these patterns are of particular interest because they provide a rare physical realization of disclinations in crystals. Both our static and dynamical theories are based entirely on classical, nonlinear elasticity theory; we use the minimal theory consistent with stability, symmetry and ability to explain qualitatively the observed patterns. After scaling, the only parameters of the static theory are a temperature variable and a stiffness variable. For moderate to large stiffness, our static results show nested stars, unnested stars, fans and other nodes, triangular and trapezoidal regions of trapped hexagonal phase, etc observed in electron microscopy of Ta4N and Mg-Cd alloys, and also in lead orthovanadate (which is trigonal-monoclinic); we even find imperfections in some nodes, like those observed. For small stiffness, we find patterns like those observed in the mineral Mg-cordierite. Our dynamical studies of growth and relaxation show the formation of these static patterns, and also transitory structures such as 12-armed bursts, streamers and striations which are also seen experimentally. The major aspects of the growth-relaxation process are quite unlike those in systems with conventional order parameters, for it is inherently nonlocal; for example, the changes from one snapshot to the next are not predictable by inspection.Comment: 9 pages, 3 figures (1 b&w, 2 colour); animations may be viewed at http://huron.physics.utoronto.ca/~curnoe/sim.htm