Related papers: Anomalous Subsurface Vacancy Stabilization Dictate…
We study the effects of a low concentration of adatoms or single vacancies in the linear-response transport properties of otherwise clean graphene. These impurities were treated as localized orbitals, and for each type two cases with…
Nonequilibrium states of quantum materials can exhibit exotic properties and enable unprecedented functionality and applications. These transient states are inherently inhomogeneous, characterized by the formation of topologically protected…
The segregation behavior of the bimetallic alloys PtPd and CoCr in the case of bare surfaces and in the presence of an oxygen ad-layer has been studied by means of first-principles modeling based on density-functional theory (DFT). For both…
Designing molecular organic semiconductors with distinct frontier orbitals is key for the development of devices with desirable properties. Generating defined organic nanostructures with atomic precision can be accomplished by on-surface…
We study the deformation of a fluctuating crystalline sheet confined between two flat rigid walls as a simple model for layered solids where bonds among atoms {\it within} the same layer are much stronger than those {\it between} layers.…
We examine the nature of phase transitions occurring in strongly correlated Fermi systems at the quantum critical point (QCP) associated with a divergent effective mass. Conventional scenarios for the QCP involving collective degrees of…
Using density functional tight-binding theory, we investigated the elastic properties and deformation and failure behaviors of pristine and defective carbon-phosphide (CP) monolayers subjected to uniform uniaxial tensile strain along…
Topological states of matter are robust quantum phases, characterised by propagating or localised edge states in an insulating bulk. Topological boundary states can be triggered by various mechanisms, for example by strong spin-orbit…
The deformation mechanism in amorphous solids subjected to external shear remains poorly understood because of the absence of well-defined topological defects mediating the plastic deformation. The notion of soft spots has emerged as a…
Crystal surfaces are sensitive to the surrounding environment, where atoms left with broken bonds reconstruct to minimize surface energy. In many cases, the surface can exhibit chemical properties unique from the bulk. These differences are…
Formation of a defect face-centered cubic structure containing metal vacancies in Ni-H and Pd-H alloys was observed experimentally at high temperature annealing under high hydrogen pressure. Appearance of vacancies in the fcc structure of…
The microscopic mechanism by which amorphous solids yield plastically under an externally applied stress or deformation has remained elusive in spite of enormous research activity in recent years. Most approaches have attempted to identify…
Semi-holography, originally proposed as a model for conducting lattice electrons coupled to a holographic critical sector, leads to an effective theory of non-Fermi liquids with only a few relevant interactions on the Fermi surface in the…
Understanding the coupling of graphene with its local environment is critical to be able to integrate it in tomorrow's electronic devices. Here we show how the presence of a metallic substrate affects the properties of an atomically…
Two-dimensional conjugated metal-organic frameworks hold great promise for applications in chemiresistive sensing, electrocatalysis, and energy storage. Their interfacial interaction with metal electrodes, which has been rarely…
Atomistic simulations are performed to probe the anisotropic deformation in the compressions of face-centred-cubic metallic nanoparticles. In the elastic regime, the compressive load-depth behaviors can be characterized by the classical…
We investigate the critical properties and phase structure of excited states in a holographic superconductor model within the framework of Varying Central Charge Thermodynamics, where the cosmological constant serves as a fundamental…
The field of single atom catalysis (SAC) has expanded greatly in recent years. While there has been much success developing new synthesis methods, a fundamental disconnect exists between most experiments and the theoretical computations…
What are the fundamental laws for the adsorption of charged polymers onto oppositely charged surfaces, for convex, planar, and concave geometries? This question is at the heart of surface coating applications, various complex formation…
In topological phases of matter for which the bulk and boundary support distinct electronic gaps, there exists the possibility of decoupled mobility gaps in the presence of disorder. This is in analogy with the well-studied problem of…