SURFACE INDUCED FINITE-SIZE EFFECTS FOR FIRST ORDER PHASE TRANSITIONS

We consider classical lattice models describing first-order phase transitions, and study the finite-size scaling of the magnetization and susceptibility. In order to model the effects of an actual surface in systems like small magnetic clusters, we consider models with free boundary conditions. For a field driven transition with two coexisting phases at the infinite volume transition point $h=h_t$, we prove that the low temperature finite volume magnetization m_{\free}(L,h) per site in a cubic volume of size $L^d$ behaves like m_\free(L,h)=\frac{m_++m_-}2 + \frac{m_+-m_-}2 \tanh \bigl(\frac{m_+-m_-}2\,L^d\, (h-h_\chi(L))\bigr)+O(1/L), where $h_\chi(L)$ is the position of the maximum of the (finite volume) susceptibility and $m_\pm$ are the infinite volume magnetizations at $h=h_t+0$ and $h=h_t-0$, respectively. We show that $h_\chi(L)$ is shifted by an amount proportional to $1/L$ with respect to the infinite volume transitions point $h_t$ provided the surface free energies of the two phases at the transition point are different. This should be compared with the shift for periodic boun\- dary conditons, which for an asymmetric transition with two coexisting phases is proportional only to $1/L^{2d}$. One also consider the position $h_U(L)$ of the maximum of the so called Binder cummulant U_\free(L,h). While it is again shifted by an amount proportional to $1/L$ with respect to the infinite volume transition point $h_t$, its shift with respect to $h_\chi(L)$ is of the much smaller order $1/L^{2d}$. We give explicit formulas for the proportionality factors, and show that, in the leading $1/L^{2d}$ term, the relative shift is the same as that for periodic boundary conditions.Comment: 65 pages, amstex, 1 PostScript figur

Band structure of CuMnAs probed by optical and photoemission spectroscopy

The tetragonal phase of CuMnAs progressively appears as one of the key materials for antiferromagnetic spintronics due to efficient current-induced spin-torques whose existence can be directly inferred from crystal symmetry. Theoretical understanding of spintronic phenomena in this material, however, relies on the detailed knowledge of electronic structure (band structure and corresponding wave functions) which has so far been tested only to a limited extent. We show that AC permittivity (obtained from ellipsometry) and UV photoelectron spectra agree with density functional calculations. Together with the x-ray diffraction and precession electron diffraction tomography, our analysis confirms recent theoretical claim [Phys. Rev. B 96, 094406 (2017)] that copper atoms occupy lattice positions in the basal plane of the tetragonal unit cell

First-order transition features of the triangular Ising model with nearest- and next-nearest-neighbor antiferromagnetic interactions

We implement a new and accurate numerical entropic scheme to investigate the first-order transition features of the triangular Ising model with nearest-neighbor ($J_{nn}$) and next-nearest-neighbor ($J_{nnn}$) antiferromagnetic interactions in ratio $R=J_{nn}/J_{nnn}=1$. Important aspects of the existing theories of first-order transitions are briefly reviewed, tested on this model, and compared with previous work on the Potts model. Using lattices with linear sizes $L=30,40,...,100,120,140,160,200,240,360$ and 480 we estimate the thermal characteristics of the present weak first-order transition. Our results improve the original estimates of Rastelli et al. and verify all the generally accepted predictions of the finite-size scaling theory of first-order transitions, including transition point shifts, thermal, and magnetic anomalies. However, two of our findings are not compatible with current phenomenological expectations. The behavior of transition points, derived from the number-of-phases parameter, is not in accordance with the theoretically conjectured exponentially small shift behavior and the well-known double Gaussian approximation does not correctly describe higher correction terms of the energy cumulants. It is argued that this discrepancy has its origin in the commonly neglected contributions from domain wall corrections.Comment: 34 pages, 11 figure

SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses

On 24th November 2021, the sequence of a new SARS-CoV-2 viral isolate Omicron-B.1.1.529 was announced, containing far more mutations in Spike (S) than previously reported variants. Neutralization titers of Omicron by sera from vaccinees and convalescent subjects infected with early pandemic Alpha, Beta, Gamma, or Delta are substantially reduced, or the sera failed to neutralize. Titers against Omicron are boosted by third vaccine doses and are high in both vaccinated individuals and those infected by Delta. Mutations in Omicron knock out or substantially reduce neutralization by most of the large panel of potent monoclonal antibodies and antibodies under commercial development. Omicron S has structural changes from earlier viruses and uses mutations that confer tight binding to ACE2 to unleash evolution driven by immune escape. This leads to a large number of mutations in the ACE2 binding site and rebalances receptor affinity to that of earlier pandemic viruses