Second harmonic generation and birefringence of some ternary pnictide semiconductors

A first-principles study of the birefringence and the frequency dependent second harmonic generation (SHG) coefficients of the ternary pnictide semiconductors with formula ABC$_2$ (A = Zn, Cd; B = Si, Ge; C = As, P) with the chalcopyrite structures was carried out. We show that a simple empirical observation that a smaller value of the gap is correlated with larger value of SHG is qualitatively true. However, simple inverse power scaling laws between gaps and SHG were not found. Instead, the real value of the nonlinear response is a result of a very delicate balance between different intraband and interband terms.Comment: 13 pages, 12 figure

High-order density-matrix perturbation theory

We present a simple formalism for the calculation of the derivatives of the electronic density matrix at any order, within density functional theory. Our approach, contrary to previous ones, is not based on the perturbative expansion of the Kohn-Sham wavefunctions. It has the following advantages: (i) it allows a simple derivation for the expression for the high order derivatives of the density matrix; (ii) in extended insulators, the treatment of uniform-electric-field perturbations and of the polarization derivatives is straightforward.Comment: 4 page

Quantum Monte Carlo and variational approaches to the Holstein model

Based on the canonical Lang-Firsov transformation of the Hamiltonian we develop a very efficient quantum Monte Carlo algorithm for the Holstein model with one electron. Separation of the fermionic degrees of freedom by a reweighting of the probability distribution leads to a dramatic reduction in computational effort. A principal component representation of the phonon degrees of freedom allows to sample completely uncorrelated phonon configurations. The combination of these elements enables us to perform efficient simulations for a wide range of temperature, phonon frequency and electron-phonon coupling on clusters large enough to avoid finite-size effects. The algorithm is tested in one dimension and the data are compared with exact-diagonalization results and with existing work. Moreover, the ideas presented here can also be applied to the many-electron case. In the one-electron case considered here, the physics of the Holstein model can be described by a simple variational approach.Comment: 18 pages, 11 Figures, v2: one typo correcte

A Unified Model for Two Localisation Problems: Electron States in Spin-Degenerate Landau Levels, and in a Random Magnetic Field

A single model is presented which represents both of the two apparently unrelated localisation problems of the title. The phase diagram of this model is examined using scaling ideas and numerical simulations. It is argued that the localisation length in a spin-degenerate Landau level diverges at two distinct energies, with the same critical behaviour as in a spin-split Landau level, and that all states of a charged particle moving in two dimensions, in a random magnetic field with zero average, are localised.Comment: 7 pages (RevTeX 3.0) plus 4 postscript figure

A Farewell to Liouvillians

We examine the Liouvillian approach to the quantum Hall plateau transition, as introduced recently by Sinova, Meden, and Girvin [Phys. Rev. B {\bf 62}, 2008 (2000)] and developed by Moore, Sinova and Zee [Phys. Rev. Lett. {\bf 87}, 046801 (2001)]. We show that, despite appearances to the contrary, the Liouvillian approach is not specific to the quantum mechanics of particles moving in a single Landau level: we formulate it for a general disordered single-particle Hamiltonian. We next examine the relationship between Liouvillian perturbation theory and conventional calculations of disorder-averaged products of Green functions and show that each term in Liouvillian perturbation theory corresponds to a specific contribution to the two-particle Green function. As a consequence, any Liouvillian approximation scheme may be re-expressed in the language of Green functions. We illustrate these ideas by applying Liouvillian methods, including their extension to $N_L > 1$ Liouvillian flavors, to random matrix ensembles, using numerical calculations for small integer $N_L$ and an analytic analysis for large $N_L$. We find that behavior at $N_L > 1$ is different in qualitative ways from that at $N_L=1$. In particular, the $N_L = \infty$ limit expressed using Green functions generates a pathological approximation, in which two-particle correlation functions fail to factorize correctly at large separations of their energy, and exhibit spurious singularities inside the band of random matrix energy levels. We also consider the large $N_L$ treatment of the quantum Hall plateau transition, showing that the same undesirable features are present there, too

Non-canonical Hedgehog signaling mediates profibrotic hematopoiesis-stroma crosstalk in myeloproliferative neoplasms.

The role of hematopoietic Hedgehog signaling in myeloproliferative neoplasms (MPNs) remains incompletely understood despite data suggesting that Hedgehog (Hh) pathway inhibitors have therapeutic activity in patients. We aim to systematically interrogate the role of canonical vs. non-canonical Hh signaling in MPNs. We show that Gli1 protein levels in patient peripheral blood mononuclear cells (PBMCs) mark fibrotic progression and that, in murine MPN models, absence of hematopoietic Gli1, but not Gli2 or Smo, significantly reduces MPN phenotype and fibrosis, indicating that GLI1 in the MPN clone can be activated in a non-canonical fashion. Additionally, we establish that hematopoietic Gli1 has a significant effect on stromal cells, mediated through a druggable MIF-CD74 axis. These data highlight the complex interplay between alterations in the MPN clone and activation of stromal cells and indicate that Gli1 represents a promising therapeutic target in MPNs, particularly that Hh signaling is dispensable for normal hematopoiesis