Modulation of Kekulé adatom ordering due to strain in graphene

Coding and Ordering Kekulé Structures

The concept of numerical Kekulé structures is used for coding and ordering geometrical (standard) Kekulé structures of several classes of polycyclic conjugated molecules: catacondensed, pericondensed, and fully arenoid benzenoid hydrocarbons, thioarenoids, and [N]phenylenes. It is pointed out that the numerical Kekulé structures can be obtained for any class of polycyclic conjugated systems tha...

Shear Localization due to Strain Softening in Side Pressed Cylinders

In this paper, shear localization due to strain softening in sidepressed cylinders, is inverstigated. Shear localization causes formation of macroscopic shear bands which can be obsserved in the metallographic cross-section. In this paper, for the first time a method is presented in which a simple two-slice model is used to study the formation of shear bands. The results obtained form this mode...

Shear Localization due to Strain Softening in Side Pressed Cylinders

In this paper, shear localization due to strain softening in sidepressed cylinders, is inverstigated. Shear localization causes formation of macroscopic shear bands which can be obsserved in the metallographic cross-section. In this paper, for the first time a method is presented in which a simple two-slice model is used to study the formation of shear bands. The results obtained form this mode...

DFT Calculation for Adatom Adsorption on Graphene

Multiferroicity due to charge ordering

In this contribution to the special issue on multiferroics we focus on multiferroicity driven by different forms of charge ordering. We will present the generic mechanisms by which charge ordering can induce ferroelectricity in magnetic systems. There is a number of specific classes of materials for which this is relevant. We will discuss in some detail (i) the perovskite manganites of the type...