Related papers: First Principles Phase Diagram Calculation for the…
Monolayer transition metal dichalcogenides in the distorted octahedral 1T$^\prime$ phase exhibit a large bulk bandgap and gapless boundary states, which is an asset in the ongoing quest for topological electronics. In single-layer tungsten…
In addition to signals for the critical point, evidence for a first order phase transition would indicate a nontrivial structure within the QCD phase diagram. Moreover, while not a direct measurement of the critical point, the presence of a…
In the transition metal dichalcogenide IrTe$_2$, low-temperature charge-ordered phase transitions involving Ir dimers lead to the occurrence of stripe phases of different periodicities, and nearly degenerate energies. Bulk-sensitive…
The dynamics of first order phase transitions are studied in the context of (3+1)-dimensional scalar field theories. Particular attention is paid to the question of quantifying the strength of the transition, and how `weak' and `strong'…
We map the mean-field Ising model equation of state onto the QCD phase diagram, and reconstruct the full coexistence region in the case of a first order phase transition. Beyond the coexistence line, we maintain access to the spinodal…
Solutions of hydrodynamical equations are presented for an equation of state allowing for a first-order phase transition. The numerical analysis is supplemented by analytical treatment provided the system is close to the critical point. The…
We study first- and second-order phase transitions of ferromagnetic lattice models on scale-free networks, with a degree exponent $\gamma$. Using the example of the $q$-state Potts model we derive a general self-consistency relation within…
Chalcogenide phase-change materials (PCMs) are important for nonvolatile memory and reconfigurable photonic technologies. The GeTe-Sb2Te3 mixture system, commonly referred to as GST, is the most well-known PCM family, but new PCMs are…
Superconductivity arises in the layered iron-pnictide compounds when magnetic long range order disappears. We use first principles density functional methods to study magnetic arrangements that may compete with long range order near the…
We study first-order electroweak phase transitions nonperturbatively, assuming any particles beyond the Standard Model are sufficiently heavy to be integrated out at the phase transition. Utilising high temperature dimensional reduction, we…
Different topological phases of quantum systems has become areas of increased focus in recent decades. In particular, the question of how to realize and manipulate systems with non-trivial first Chern number is pursued both experimentally…
The electronic structure of semiconducting 2D materials such as transition metal dichalcogenides (TMDs) is known to be tunable by its environment, from simple external fields applied with electrical contacts up to complex van der Waals…
Equations of granular hydrostatics are used to compute the phase diagram of the recently discovered van der Waals-like phase separation in a driven granular gas. The model two-dimensional system consists of smooth hard disks in a…
We study the three dimensional SU(2)-symmetric noncompact CP1 model, with two charged matter fields coupled minimally to a noncompact Abelian gauge-field. The phase diagram and the nature of the phase transitions in this model have…
We use bulk magnetic susceptibility, electronic specific heat, and neutron scattering to study structural and magnetic phase transitions in Fe$_{1+y}$Se% $_x$Te$_{1-x}$. Fe$_{1.068}$Te exhibits a first order phase transition near 67 K with…
Competing interactions in quantum magnets lead to a variety of emergent states, including ordered phases, nematic magnets and quantum spin liquids. Among them, topological quantum magnets represent a promising platform to create topological…
Sparse matter is characterized by regions with low electron density and its understanding calls for methods to accurately calculate both the van der Waals (vdW) interactions and other bonding. Here we present a first-principles density…
We introduce a McMillan-Ginzburg-Landau theory to describe the cooperative coexistence of charge-density and superconducting order in two-dimensional crystals. With a free-energy that explicitly accounts for the competition between…
A first-principles method, based on density functional perturbation theory, is presented for computing the leading order tunability of high-dielectric-constant materials.
Using the method of the effective potential of quantum field theory, we compute the quantum corrections to the phase diagram of systems with competing order parameters. This is specially useful to study metallic systems with competing…