Phase diagram ≈ Phase diagram
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A critical review of high entropy alloys and related concepts Open
High entropy alloys (HEAs) are barely 12 years old. The field has stimulated new ideas and has inspired the exploration of the vast composition space offered by multi-principal element alloys (MPEAs). Here we present a critical review of t…
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Non-Hermitian Chern Bands Open
The relation between chiral edge modes and bulk Chern numbers of quantum Hall insulators is a paradigmatic example of bulk-boundary correspondence. We show that the chiral edge modes are not strictly tied to the Chern numbers defined by a …
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Water: A Tale of Two Liquids Open
Water is the most abundant liquid on earth and also the substance with the largest number of anomalies in its properties. It is a prerequisite for life and as such a most important subject of current research in chemical physics and physic…
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Sequence determinants of protein phase behavior from a coarse-grained model Open
Membraneless organelles important to intracellular compartmentalization have recently been shown to comprise assemblies of proteins which undergo liquid-liquid phase separation (LLPS). However, many proteins involved in this phase separati…
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Computational understanding of Li-ion batteries Open
Over the last two decades, computational methods have made tremendous advances, and today many key properties of lithium-ion batteries can be accurately predicted by first principles calculations. For this reason, computations have become …
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CHGNet as a pretrained universal neural network potential for charge-informed atomistic modelling Open
Large-scale simulations with complex electron interactions remain one of the greatest challenges for atomistic modelling. Although classical force fields often fail to describe the coupling between electronic states and ionic rearrangement…
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Discrete Time Crystals: Rigidity, Criticality, and Realizations Open
Despite being forbidden in equilibrium, spontaneous breaking of time translation symmetry can occur in periodically driven, Floquet systems with discrete time-translation symmetry. The period of the resulting discrete time crystal is quant…
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Ab initio theory and modeling of water Open
Significance Water is vital to our everyday life, but its structure at a molecular level is still not fully understood from either experiment or theory. The latter is hampered by our inability to construct a purely predictive, first princi…
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Vanadium Oxide: Phase Diagrams, Structures, Synthesis, and Applications Open
Vanadium oxides with multioxidation states and various crystalline structures offer unique electrical, optical, optoelectronic and magnetic properties, which could be manipulated for various applications. For the past 30 years, significant…
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Rare-earth nickelates<i>R</i>NiO<sub>3</sub>: thin films and heterostructures Open
This review stands in the larger framework of functional materials by focussing on heterostructures of rare-earth nickelates, described by the chemical formula RNiO3 where R is a trivalent rare-earth R = La, Pr, Nd, Sm, …, Lu. Nickelates a…
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Transient Supersolid Properties in an Array of Dipolar Quantum Droplets Open
We study theoretically and experimentally the emergence of supersolid\nproperties in a dipolar Bose-Einstein condensate. The theory reveals a ground\nstate phase diagram with three distinct regimes - a regular Bose-Einstein\ncondensate, in…
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The Hubbard Model Open
The repulsive Hubbard model has been immensely useful in understanding strongly correlated electron systems and serves as the paradigmatic model of the field. Despite its simplicity, it exhibits a strikingly rich phenomenology reminiscent …
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LASSI: A lattice model for simulating phase transitions of multivalent proteins Open
Many biomolecular condensates form via spontaneous phase transitions that are driven by multivalent proteins. These molecules are biological instantiations of associative polymers that conform to a so-called stickers-and-spacers architectu…
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Thermodynamic Origin of Photoinstability in the CH<sub>3</sub>NH<sub>3</sub>Pb(I<sub>1–<i>x</i></sub>Br<sub><i>x</i></sub>)<sub>3</sub> Hybrid Halide Perovskite Alloy Open
The formation of solid-solutions of iodide, bromide, and chloride provides the means to control the structure, band gap, and stability of hybrid halide perovskite semiconductors for photovoltaic applications. We report a computational inve…
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Hydrodynamics of electrons in graphene Open
Generic interacting many-body quantum systems are believed to behave as classical fluids on long time and length scales. Due to rapid progress in growing exceptionally pure crystals, we are now able to experimentally observe this collectiv…
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Detection of Zak phases and topological invariants in a chiral quantum walk of twisted photons Open
Topological insulators are fascinating states of matter exhibiting protected edge states and robust quantized features in their bulk. Here we propose and validate experimentally a method to detect topological properties in the bulk of one-…
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Discovering phases, phase transitions, and crossovers through unsupervised machine learning: A critical examination Open
We apply unsupervised machine learning techniques, mainly principal component analysis (PCA), to compare and contrast the phase behavior and phase transitions in several classical spin models-the square- and triangular-lattice Ising models…
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Full Phase Diagram of Active Brownian Disks: From Melting to Motility-Induced Phase Separation Open
We establish the complete phase diagram of self-propelled hard disks in two spatial dimensions from the analysis of the equation of state and the statistics of local order parameters. The equilibrium melting scenario is maintained at small…
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Phase Diagram of a Deep Potential Water Model Open
Using the Deep Potential methodology, we construct a model that reproduces accurately the potential energy surface of the SCAN approximation of density functional theory for water, from low temperature and pressure to about 2400 K and 50 G…
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Ubiquitous signatures of nematic quantum criticality in optimally doped Fe-based superconductors Open
Discerning the nematic connection The phase diagram of any given family of iron-based superconductors is complicated: Superconductivity competes with antiferromagnetism, with a structural transition often thrown in for good measure. Transp…
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QCD phase structure at finite temperature and density Open
We discuss the phase structure of QCD for $N_f=2$ and $N_f=2+1$ dynamical quark flavours at finite temperature and baryon chemical potential. It emerges dynamically from the underlying fundamental interactions between quarks and gluons in …
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Physics of SrTiO<sub>3</sub>-based heterostructures and nanostructures: a review Open
This review provides a summary of the rich physics expressed within SrTiO3-based heterostructures and nanostructures. The intended audience is researchers who are working in the field of oxides, but also those with different backgrounds (e…
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Zero-gap semiconductor to excitonic insulator transition in Ta2NiSe5 Open
The excitonic insulator is a long conjectured correlated electron phase of narrow-gap semiconductors and semimetals, driven by weakly screened electron–hole interactions. Having been proposed more than 50 years ago, conclusive experimental…
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Complete Phase Diagram for Liquid–Liquid Phase Separation of Intrinsically Disordered Proteins Open
A number of intrinsically disordered proteins have been shown to self-assemble via liquid-liquid phase separation into protein-rich and dilute phases. The resulting coacervates can have important biological functions, and the ability to fo…
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Liquid–liquid phase separation during amphiphilic self-assembly Open
The self-assembly of amphiphilic molecules in solution is a ubiquitous process in both natural and synthetic systems. The ability to effectively control the structure and properties of these systems is essential for tuning the quality of t…
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Dome-shaped magnetic order competing with high-temperature superconductivity at high pressures in FeSe Open
The coexistence and competition between superconductivity and electronic orders, such as spin or charge density waves, have been a central issue in high transition-temperature ( T c ) superconductors. Unlike other iron-based superconductor…
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Nickelate Superconductivity without Rare‐Earth Magnetism: (La,Sr)NiO<sub>2</sub> Open
The occurrence of unconventional superconductivity in cuprates has long motivated the search for manifestations in other layered transition metal oxides. Recently, superconductivity is found in infinite‐layer nickelate (Nd,Sr)NiO 2 and (Pr…
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Structural and electronic properties of Ga2O3-Al2O3 alloys Open
Ga2O3 is emerging as an important electronic material. Alloying with Al2O3 is a viable method to achieve carrier confinement, to increase the bandgap, or to modify the lattice parameters. However, the two materials have very different grou…
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Design of Light-Weight High-Entropy Alloys Open
High-entropy alloys (HEAs) are a new class of solid-solution alloys that have attracted worldwide attention for their outstanding properties. Owing to the demand from transportation and defense industries, light-weight HEAs have also garne…
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Valley Topological Phases in Bilayer Sonic Crystals Open
Recently, the topological physics in artificial crystals for classical waves has become an emerging research area. In this Letter, we propose a unique bilayer design of sonic crystals that are constructed by two layers of coupled hexagonal…