Magnetic dam** is of critical importance for devices that seek to exploit the electronic spin
degree of freedom, as dam** strongly affects the energy required and speed at which a …

We show that quantum-mechanical molecular-dynamics simulations in a finite-temperature
local-density approximation based on the calculation of the electronic ground state and of …

In a comprehensive study, the modified embedded-atom method is extended to a variety of
cubic materials and impurities. In this extension, all functions are analytic and …

Energy storage technologies, which are based on natural principles and developed via
rigorous academic study, are essential for sustainable energy solutions. Mechanical …

The second nearest-neighbor modified embedded atom method (MEAM)[Phys. Rev. B 62,
8564 (2000)], developed in order to solve problems of the original first nearest-neighbor …

The modified embedded-atom method, a first nearest-neighbor semiempirical model for
atomic potentials, can describe the physical properties of a wide range of elements and …

There is a continuing growth of interest in the computer simulation of materials at the atomic
scale, using a variety of academic and commercial computer programs. In all such programs …

Abstract The influence of Mott-Hubbard electron-electron correlations on the electronic
structure and structural stability of uranium dioxide (UO2) has been analysed using the local …

We have from first principles calculated the elastic constants (C 11, C 12, and C 44) of all
nonmagnetic cubic d transition metals, and obtained good agreement with experimental …

Indium-based transparent conductors, notably indium tin oxide (ITO), have a wide range of
applications due to a unique combination of visible light transparency and modest …