Negative Linear Compressibility and Auxeticity in Boron Arsenate

A novel mechanism is identified leading to negative linear compressibility (NLC) in boron arsenate which is shown to arise from deformations in the framework tetrahedra rather than more conspicuous tetrahedral rotations. Instead, such rotations, which manifest as “rotating squares” when viewed down the c direction, are found to result in negative Poisson's ratio (NPR) in the (001) plane, which in turn augments the compressibility, a phenomenon that should be applicable to other auxetic materials. It is hypothesized that the generic NLC and NPR mechanisms identified here, as well as the augmented compressibility due to auxeticity should also feature in materials and metamaterials with similar characteristics.