103,029 research outputs found
Chemical control of orbital polarization in artificially structured transition-metal oxides: La2NiXO6 (X=B, Al, Ga, In) from first principles
The application of modern layer-by-layer growth techniques to
transition-metal oxide materials raises the possibility of creating new classes
of materials with rationally designed correlated electron properties. An
important step toward this goal is the demonstration that electronic structure
can be controlled by atomic composition. In compounds with partially occupied
transition-metal d shells, one important aspect of the electronic structure is
the relative occupancy of different d orbitals. Previous work has established
that strain and quantum confinement can be used to influence orbital occupancy.
In this paper we demonstrate a different modality for orbital control in
transition-metal oxide heterostructures, using density-functional band
calculations supplemented by a tight-binding analysis to show that the choice
of nontransition-metal counterion X in transition-metal oxide heterostructures
composed of alternating LaNiO3 and LaXO3 units strongly affects orbital
occupancy, changing the magnitude and in some cases the sign of the orbital
polarization
Commuting Simplicity and Closure Constraints for 4D Spin Foam Models
Spin Foam Models are supposed to be discretised path integrals for quantum
gravity constructed from the Plebanski-Holst action. The reason for there being
several models currently under consideration is that no consensus has been
reached for how to implement the simplicity constraints. Indeed, none of these
models strictly follows from the original path integral with commuting B
fields, rather, by some non standard manipulations one always ends up with non
commuting B fields and the simplicity constraints become in fact anomalous
which is the source for there being several inequivalent strategies to
circumvent the associated problems. In this article, we construct a new
Euclidian Spin Foam Model which is constructed by standard methods from the
Plebanski-Holst path integral with commuting B fields discretised on a 4D
simplicial complex. The resulting model differs from the current ones in
several aspects, one of them being that the closure constraint needs special
care. Only when dropping the closure constraint by hand and only in the large
spin limit can the vertex amplitudes of this model be related to those of the
FK Model but even then the face and edge amplitude differ. Curiously, an ad hoc
non-commutative deformation of the variables leads from our new model
to the Barrett-Crane Model in the case of Barbero-Immirzi parameter goes to
infinity.Comment: 41 pages, 4 figure
Behavior of large-scale rectangular columns confined with FRP composites
This paper focuses on axially loaded, large-scale rectangular RC columns confined with fiber-reinforced polymer (FRP) wrapping. Experimental tests are conducted to obtain the stress-strain response and ultimate load for three field-size columns having different aspect ratios and/or corner radii. Effective transverse FRP failure strain and the effect of increasing confining action on the stress-strain behavior are examined. Existing strength models, the majority of which were developed for small-scale specimens, are applied to predict the structural response. Since some of them fail to adequately characterize the test data and others are complex and require significant calculation, a simple design-oriented model is developed. The new model is based on the confinement effectiveness coefficient, an aspect ratio coefficient, and a corner radius coefficient. It accurately predicts the axial ultimate strength of the large-scale columns at hand and, when applied to the small-scale columns studied by other investigators, produces reasonable results
Asymptotics of Spinfoam Amplitude on Simplicial Manifold: Lorentzian Theory
The present paper studies the large-j asymptotics of the Lorentzian EPRL
spinfoam amplitude on a 4d simplicial complex with an arbitrary number of
simplices. The asymptotics of the spinfoam amplitude is determined by the
critical configurations. Here we show that, given a critical configuration in
general, there exists a partition of the simplicial complex into three type of
regions R_{Nondeg}, R_{Deg-A}, R_{Deg-B}, where the three regions are
simplicial sub-complexes with boundaries. The critical configuration implies
different types of geometries in different types of regions, i.e. (1) the
critical configuration restricted into R_{Nondeg} is degenerate of type-A in our definition of degeneracy, but implies
a nondegenerate discrete Euclidean geometry on R_{Deg-A}, (3) the critical
configuration restricted into R_{Deg-B} is degenerate of type-B, and implies a
vector geometry on R_{Deg-B}. With the critical configuration, we further make
a subdivision of the regions R_{Nondeg} and R_{Deg-A} into sub-complexes (with
boundary) according to their Lorentzian/Euclidean oriented 4-simplex volume
V_4(v), such that sgn(V_4(v)) is a constant sign on each sub-complex. Then in
the each sub-complex, the spinfoam amplitude at the critical configuration
gives the Regge action in Lorentzian or Euclidean signature respectively on
R_{Nondeg} or R_{Deg-A}. The Regge action reproduced here contains a sign
factor sgn(V_4(v)) of the oriented 4-simplex volume. Therefore the Regge action
reproduced here can be viewed a discretized Palatini action with on-shell
connection. Finally the asymptotic formula of the spinfoam amplitude is given
by a sum of the amplitudes evaluated at all possible critical configurations,
which are the products of the amplitudes associated to different type of
geometries.Comment: 54 pages, 2 figures, reference adde
Dynamical Mean Field Theory of Nickelate Superlattices
Dynamical mean field methods are used to calculate the phase diagram,
many-body density of states, relative orbital occupancy and Fermi surface shape
for a realistic model of -based superlattices. The model is derived
from density functional band calculations and includes oxygen orbitals. The
combination of the on-site Hunds interaction and charge-transfer between the
transition metal and the oxygen orbitals is found to reduce the orbital
polarization far below the levels predicted either by band structure
calculations or by many-body analyses of Hubbard-type models which do not
explicitly include the oxygen orbitals. The findings indicate that
heterostructuring is unlikely to produce one band model physics and demonstrate
the fundamental inadequacy of modeling the physics of late transition metal
oxides with Hubbard-like models.Comment: Values of orbitals polarizations reported in Fig. 2 corrected. We
thank E. Benckiser and M. Wu for pointing out the error
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