SmO thin films: a flexible route to correlated flat bands with nontrivial topology

Using density functional theory based calculations, we show that the correlated mixed-valent compound SmO is a 3D strongly topological semi-metal as a result of a 4$f$-5$d$ band inversion at the X point. The [001] surface Bloch spectral density reveals two weakly interacting Dirac cones that are quasi-degenerate at the M_bar-point and another single Dirac cone at the Gamma_bar-point. We also show that the topological non-triviality in SmO is very robust and prevails for a wide range of lattice parameters, making it an ideal candidate to investigate topological nontrivial correlated flat bands in thin-film form. Moreover, the electron filling is tunable by strain. In addition, we find conditions for which the inversion is of the 4f-6s type, making SmO to be a rather unique system. The similarities of the crystal symmetry and the lattice constant of SmO to the well studied ferromagnetic semiconductor EuO, makes SmO/EuO thin film interfaces an excellent contender towards realizing the quantum anomalous Hall effect in a strongly correlated electron system.Comment: Paper+supplemen

Nature of magnetism in Ca3_3Co2_2O6_6

We find using LSDA+U band structure calculations that the novel one-dimensional cobaltate Ca$_3$Co$_2$O$_6$ is not a ferromagnetic half-metal but a Mott insulator. Both the octahedral and the trigonal Co ions are formally trivalent, with the octahedral being in the low-spin and the trigonal in the high-spin state. The inclusion of the spin-orbit coupling leads to the occupation of the minority-spin $d_{2}$ orbital for the unusually coordinated trigonal Co, producing a giant orbital moment (1.57 $\mu_{B}$). It also results in an anomalously large magnetocrystalline anisotropy (of order 70 meV), elucidating why the magnetism is highly Ising-like. The role of the oxygen holes, carrying an induced magnetic moment of 0.13 $\mu_{B}$ per oxygen, for the exchange interactions is discussed.Comment: 5 pages, 4 figures, and 1 tabl

Performance Analysis of Uplink Packet Schedulers in Cellular Networks with Relaying

Deployment of intermediate relay nodes in cellular networks, e,g, UMTS/ HSPA, has been proposed for service enhancement, which is of particular importance for uplink users at the cell edge suffering from low power capacity and relatively poor channel conditions. In this paper, we propose and investigate a number of uplink packet scheduling schemes deploying the relay functionality in different ways. Using a combined packet and flow level analysis capturing the specifics of the scheduling schemes and the random behavior of the users (initiation and completion of flow transfers), the performance of the various schemes is evaluated and compared to a reference scenario where relaying is not used. The main performance measures considered in our study are the instantaneous data rate, the energy consumption and the mean flow transfer time. Interestingly, considering flow transfer times, it is found that the use of relay nodes is not only particularly beneficial for users at the cell edge but also has a strongly positive effect on the performance of users at locations close to the base station

Strong spin-orbit coupling effects on the Fermi surface of Sr2RuO4 and Sr2RhO4

We present a first-principle study of spin-orbit coupling effects on the Fermi surface of Sr2RuO4 and Sr2RhO4. For nearly degenerate bands, spin-orbit coupling leads to a dramatic change of the Fermi surface with respect to non-relativistic calculations; as evidenced by the comparison with experiments on Sr2RhO4, it cannot be disregarded. For Sr2RuO4, the Fermi surface modifications are more subtle but equally dramatic in the detail: spin-orbit coupling induces a strong momentum dependence, normal to the RuO2 planes, for both orbital and spin character of the low-energy electronic states. These findings have profound implications for the understanding of unconventional superconductivity in Sr2RuO4.Comment: A high-resolution version can be found at http://www.physics.ubc.ca/~quantmat/ARPES/PUBLICATIONS/Articles/SO_Sr2RuO4.pd

Controlling orbital moment and spin orientation in CoO layers by strain

We have observed that CoO films grown on different substrates show dramatic differences in their magnetic properties. Using polarization dependent x-ray absorption spectroscopy at the Co L$_{2,3}$ edges, we revealed that the magnitude and orientation of the magnetic moments strongly depend on the strain in the films induced by the substrate. We presented a quantitative model to explain how strain together with the spin-orbit interaction determine the 3d orbital occupation, the magnetic anisotropy, as well as the spin and orbital contributions to the magnetic moments. Control over the sign and direction of the strain may therefore open new opportunities for applications in the field of exchange bias in multilayered magnetic films

I/O efficient bisimulation partitioning on very large directed acyclic graphs

In this paper we introduce the first efficient external-memory algorithm to compute the bisimilarity equivalence classes of a directed acyclic graph (DAG). DAGs are commonly used to model data in a wide variety of practical applications, ranging from XML documents and data provenance models, to web taxonomies and scientific workflows. In the study of efficient reasoning over massive graphs, the notion of node bisimilarity plays a central role. For example, grouping together bisimilar nodes in an XML data set is the first step in many sophisticated approaches to building indexing data structures for efficient XPath query evaluation. To date, however, only internal-memory bisimulation algorithms have been investigated. As the size of real-world DAG data sets often exceeds available main memory, storage in external memory becomes necessary. Hence, there is a practical need for an efficient approach to computing bisimulation in external memory. Our general algorithm has a worst-case IO-complexity of O(Sort(|N| + |E|)), where |N| and |E| are the numbers of nodes and edges, resp., in the data graph and Sort(n) is the number of accesses to external memory needed to sort an input of size n. We also study specializations of this algorithm to common variations of bisimulation for tree-structured XML data sets. We empirically verify efficient performance of the algorithms on graphs and XML documents having billions of nodes and edges, and find that the algorithms can process such graphs efficiently even when very limited internal memory is available. The proposed algorithms are simple enough for practical implementation and use, and open the door for further study of external-memory bisimulation algorithms. To this end, the full open-source C++ implementation has been made freely available

Mott-Hubbard exciton in the optical conductivity of YTiO3 and SmTiO3

In the Mott-Hubbard insulators YTiO3 and SmTiO3 we study optical excitations from the lower to the upper Hubbard band, d^1d^1 -> d^0d^2. The multi-peak structure observed in the optical conductivity reflects the multiplet structure of the upper Hubbard band in a multi-orbital system. Absorption bands at 2.55 and 4.15 eV in the ferromagnet YTiO3 correspond to final states with a triplet d^2 configuration, whereas a peak at 3.7 eV in the antiferromagnet SmTiO3 is attributed to a singlet d^2 final state. A strongly temperature-dependent peak at 1.95 eV in YTiO3 and 1.8 eV in SmTiO3 is interpreted in terms of a Hubbard exciton, i.e., a charge-neutral (quasi-)bound state of a hole in the lower Hubbard band and a double occupancy in the upper one. The binding to such a Hubbard exciton may arise both due to Coulomb attraction between nearest-neighbor sites and due to a lowering of the kinetic energy in a system with magnetic and/or orbital correlations. Furthermore, we observe anomalies of the spectral weight in the vicinity of the magnetic ordering transitions, both in YTiO3 and SmTiO3. In the G-type antiferromagnet SmTiO3, the sign of the change of the spectral weight at T_N depends on the polarization. This demonstrates that the temperature dependence of the spectral weight is not dominated by the spin-spin correlations, but rather reflects small changes of the orbital occupation.Comment: Strongly extended version; new data of SmTiO3 included; detailed discussion of temperature dependence include

Non-resonant inelastic x-ray scattering involving excitonic excitations

In a recent publication Larson \textit{et al.} reported remarkably clear $d$-$d$ excitations for NiO and CoO measured with x-ray energies well below the transition metal $K$ edge. In this letter we demonstrate that we can obtain an accurate quantitative description based on a local many body approach. We find that the magnitude of $\vec{q}$ can be tuned for maximum sensitivity for dipole, quadrupole, etc. excitations. We also find that the direction of $\vec{q}$ with respect to the crystal axes can be used as an equivalent to polarization similar to electron energy loss spectroscopy, allowing for a determination of the local symmetry of the initial and final state based on selection rules. This method is more generally applicable and combined with the high resolution available, could be a powerful tool for the study of local distortions and symmetries in transition metal compounds including also buried interfaces