Susceptibility of the 2D S=1/2 Heisenberg antiferromagnet with an impurity

We use a quantum Monte Carlo method (stochastic series expansion) to study the effects of a magnetic or nonmagnetic impurity on the magnetic susceptibility of the two-dimensional Heisenberg antiferromagnet. At low temperatures, we find a log-divergent contribution to the transverse susceptibility. We also introduce an effective few-spin model that can quantitatively capture the differences between magnetic and nonmagnetic impurities at high and intermediate temperatures.Comment: 5 pages, 4 figures, v2: Updated data in figures, minor changes in text, v3: Final version, cosmetic change

Managing the supercell approximation for charged defects in semiconductors: finite size scaling, charge correction factors, the bandgap problem and the ab initio dielectric constant

The errors arising in ab initio density functional theory studies of semiconductor point defects using the supercell approximation are analyzed. It is demonstrated that a) the leading finite size errors are inverse linear and inverse cubic in the supercell size, and b) finite size scaling over a series of supercells gives reliable isolated charged defect formation energies to around +-0.05 eV. The scaled results are used to test three correction methods. The Makov-Payne method is insufficient, but combined with the scaling parameters yields an ab initio dielectric constant of 11.6+-4.1 for InP. Gamma point corrections for defect level dispersion are completely incorrect, even for shallow levels, but re-aligning the total potential in real-space between defect and bulk cells actually corrects the electrostatic defect-defect interaction errors as well. Isolated defect energies to +-0.1 eV are then obtained using a 64 atom supercell, though this does not improve for larger cells. Finally, finite size scaling of known dopant levels shows how to treat the band gap problem: in less than about 200 atom supercells with no corrections, continuing to consider levels into the theoretical conduction band (extended gap) comes closest to experiment. However, for larger cells or when supercell approximation errors are removed, a scissors scheme stretching the theoretical band gap onto the experimental one is in fact correct.Comment: 11 pages, 3 figures (6 figure files). Accepted for Phys Rev

CREBBP and WDR 24 Identified as Candidate Genes for Quantitative Variation in Red-Brown Plumage Colouration in the Chicken

Plumage colouration in birds is important for a plethora of reasons, ranging from camouflage, sexual signalling, and species recognition. The genes underlying colour variation have been vital in understanding how genes can affect a phenotype. Multiple genes have been identified that affect plumage variation, but research has principally focused on major-effect genes (such as those causing albinism, barring, and the like), rather than the smaller effect modifier loci that more subtly influence colour. By utilising a domestic × wild advanced intercross with a combination of classical QTL mapping of red colouration as a quantitative trait and a targeted genetical genomics approach, we have identified five separate candidate genes (CREBBP, WDR24, ARL8A, PHLDA3, LAD1) that putatively influence quantitative variation in red-brown colouration in chickens. By treating colour as a quantitative rather than qualitative trait, we have identified both QTL and genes of small effect. Such small effect loci are potentially far more prevalent in wild populations, and can therefore potentially be highly relevant to colour evolution.Funding agencies:  Carl Tryggers Stiftelse; Swedish Research CouncilSwedish Research Council; Swedish Research Council for Environment, Agricultural Sciences and Spatial Planning (FORMAS)Swedish Research Council Formas; European Research CouncilEuropean Research Council (ER</p

Measurement with Persons: A European Network

The European ‘Measuring the Impossible’ Network MINET promotes new research activities in measurement dependent on human perception and/or interpretation. This includes the perceived attributes of products and services, such as quality or desirability, and societal parameters such as security and well-being. Work has aimed at consensus about four ‘generic’ metrological issues: (1) Measurement Concepts & Terminology; (2) Measurement Techniques: (3) Measurement Uncertainty; and (4) Decision-making & Impact Assessment, and how these can be applied specificallyto the ‘Measurement of Persons’ in terms of ‘Man as a Measurement Instrument’ and ‘Measuring Man.’ Some of the main achievements of MINET include a research repository with glossary; training course; book; series of workshops;think tanks and study visits, which have brought together a unique constellation of researchers from physics, metrology,physiology, psychophysics, psychology and sociology. Metrology (quality-assured measurement) in this area is relativelyunderdeveloped, despite great potential for innovation, and extends beyond traditional physiological metrology in thatit also deals with measurement with all human senses as well as mental and behavioral processes. This is particularlyrelevant in applications where humans are an important component of critical systems, where for instance health andsafety are at stake

Long Range Dynamics Related to Magnetic Impurity in the 2D Heisenberg Antiferromagnet

We consider a magnetic impurity in the two-dimensional Heisenberg antifferomagnet with long range antiferromagnetic order. At low temperature the impurity magnetic susceptibility has a Curie term ($\propto 1/T$) and a logarithmic correction ($\propto \ln(T)$). We calculate the correction and derive related Ward identity for the impurity-spin-wave vertex.Comment: 5 pages, 6 figure

Achieving Paris climate goals calls for increasing ambition of the Kigali Amendment

We assess that full global compliance with the Kigali Amendment to the Montreal Protocol will not provide emission reductions consistent with the 1.5oC target of the Paris Agreement. Following the Montreal Protocol’s start-and-strengthen approach to refrigerant management, fast-tracking hydrofluorocarbon phase-down under the Kigali Amendment would result in additional reductions vital for achieving the Paris climate goals. This would also increase chances of staying below 1.5oC additional warming throughout this century

Density functional theory calculations of defect energies using supercells

Reliable calculations of defect properties may be obtained with density functional theory using the supercell approximation. We systematically review the known sources of error and suggest how to perform calculations of defect properties in order to minimize errors. We argue that any analytical error-correction scheme relying on electrostatic considerations is not appropriate to derive reliable defect formation energies, especially not for relaxed geometries. Instead we propose finite size scaling of the calculated defect formation energies, and compare the use of this with both fully converged and "Gamma" (Γ) point only k-point integration. We give a recipe for practical DFT calculations which will help to obtain reliable defect formation energies and demonstrate it using examples from III-V semiconductors

Excitations and spin correlations near the interface of two three-dimensional Heisenberg antiferromagnets

Magnetic excitations and spin correlations near the interface of two spin-$\frac12$ Heisenberg antiferromagnets are considered using the spin-wave approximation. When the interaction between boundary spins differs essentially from exchange constants inside the antiferromagnets, quasi-two-dimensional spin waves appear in the near-boundary region. They eject bulk magnons from this region, thereby dividing the antiferromagnets into areas with different magnetic excitations. The decreased dimensionality of the near-boundary modes leads to amplified nearest-neighbor spin correlations in the interface area.Comment: 6 pages, 5 figure