Related papers: Stability and magnetism in complex multivacancy gr…
Combinatorial rigidity theory seeks to describe the rigidity or flexibility of bar-joint frameworks in R^d in terms of the structure of the underlying graph G. The goal of this article is to broaden the foundations of combinatorial rigidity…
In this paper the equations governing the deformations of infinitesimal (incremental) disturbances superimposed on finite static deformation fields involving magnetic and elastic interactions are presented. The coupling between the…
We investigate the structural conditions for metamagnetism in MnP and related materials using Density Functional Theory. A magnetic stability plot is constructed taking into account the two shortest Mn-Mn distances. We find that a…
Different stoichiometric configurations of graphane and graphene fluoride are investigated within density functional theory. Their structural and electronic properties are compared, and we indicate the similarities and differences among the…
Group theory analysis for two-dimensional elemental systems related to phosphorene is presented, including (i) graphene, silicene, germanene and stanene, (ii) dependence on the number of layers and (iii) two stacking arrangements. Departing…
The piecewise linearity condition on the total energy with respect to the total magnetization of finite quantum systems is derived, using the infinite-separation-limit technique. This generalizes the well-known constancy condition, related…
Recent experiments indicate room-temperature ferromagnetism in graphite like materials. This paper offers an multiple spin state analysis to find out the origine of ferromagnetism in case of nano meter size graphene molecule.First principle…
This work demonstrates the unique approach of introducing divacancy imperfections in topological Stone-Wales type defected graphene quantum dots for harvesting both singlet and triplet excitons, essential for fabricating fluorescent organic…
The crystal structure of solid-state matter greatly affects its electronic properties. For example in multilayer graphene, precise knowledge of the lateral layer arrangement is crucial, since the most stable configurations, Bernal and…
We consider a class of endomorphisms that contains a set of piecewise partially hyperbolic dynamics semi-conjugated to non-uniformly expanding maps. Our goal is to study a class of endomorphisms that preserve a foliation that is almost…
We investigate the electronic structure and lattice stability of pristine and functionalized (with either hydrogen or oxygen) $\alpha$-graphyne systems. We identify lattice instabilities due to soft-phonon modes, and describe two mechanisms…
We previously show [JETP Letters, {\bf 114}, 763 (2021)] that a graphene sample placed on a ferromagnetic substrate demonstrates a cooperative magnetoelectronic instability. The instability induces a gap in the electronic spectrum and a…
Transport measurements have revealed several exotic electronic properties of graphene. The possibility to influence the electronic structure and hence control the conductivity by adsorption or doping with adatoms is crucial in view of…
Are the embeddings of a graph's degenerate core stable? What happens to the embeddings of nodes in the degenerate core as we systematically remove periphery nodes (by repeated peeling off $k$-cores)? We discover three patterns w.r.t.…
Amorphous graphene or amorphous monolayer carbon (AMC) is a family of carbon films that exhibit a surprising sensitivity of electronic conductance to morphology. We combine deep learning-enhanced simulation techniques with percolation…
The two-dimensional carbon allotrope graphene has recently attracted a lot of attention from researchers in the disciplines of Lattice Field Theory, Lattice QCD and Monte Carlo calculations. This interest has been prompted by several…
The electronic and magnetic properties of graphane with H-vacancies are investigated with the help of quantum-chemistry methods. The hybridization of the edges is found to be absolutely crucial in defining the size of the bandgap, which is…
The nodal and effectively relativistic dispersion featuring in a range of novel materials including two- dimensional graphene and three-dimensional Dirac and Weyl semimetals has attracted enormous interest during the past decade. Here, by…
A study of strongly curved graphene magnetization and magnetic susceptibility is carried out. Through a Dirac model complemented with a tight-binding model analysis, we are able to show that mechanical deformations solve the long-standing…
In neuroscience, optics and condensed matter there is ample physical evidence for multistable dynamical systems, that is, systems with a large number of attractors. The known mathematical mechanisms that lead to multiple attractors are…