Gold is an element whose unique properties are strongly influenced by relativistic effects. A
large body of appropriate calculations now exists and its main conclusions are summarized …

Multifunctional nanorods have shown significant potential in a wide range of biomedical
applications. Nanorods can be synthesized by a top down or bottom-up approach. The …

Research into nanostructured materials frequently relates to pure substances. This contrasts
with industrial applications, where chemical do** or alloying is often used to enhance the …

The binding and electronic properties of monoatomic nanowires, dimers and bulk structures
of Cu, Ag, Au and Ni, Pd, Pt have been studied by the projector augmented-wave method …

Combining total-energy calculations, electronic-structure studies, and scanning tunneling
microscopy (STM), we demonstrate that the observed one-dimensional nanowires are …

Semistatic density functional theory is used to explore the evolution of [1 1 0] and [1 1 1] gold
nanowires during tensile deformation under a wide range of conditions, including different …

Under tensile deformation, Au nanowires (NWs) elongate to form single atom chains via a
series of intermediate structural transformations. These intermediate structures are …

Using ab initio density-functional theory together with a semilocal approximation for
exchange and correlation we study structural, energetical, and electronic properties for a …

We study the stability of conductance oscillations in monatomic sodium wires with respect to
structural variations. The geometry, the electronic structure, and the electronic potential of …

We have investigated using first principles the occurrence and tunability of the spin Seebeck
effect in Pt-based bimetallic wires of noble metals (viz. XPt, X= Cu, Ag, and Au) modelled in …