Calculating electronic stopping power in materials from first principles

Abstract:

From the early models of electronic stopping power to the current first principles simulations, the techniques evolved to increase the range of validity and to reduce empiricism. Thanks to a combination of theoretical advances provided by Time Dependent Density Functional Theory and the development of numerical codes, it is currently possible to pbkp_redict electronic stopping power for realistic materials by performing direct simulations of the electron excitation processes beyond linear response, and including electronic band structure effects. Electronic stopping power is an important quantity used to pbkp_redict and understand the effects of particle radiation in matter. First principles calculations of electronic stopping power can be applied to any atomistic system, solids, liquids and alloys. This review aims to help graduate level students and researchers immerse themselves into state-of-the-art techniques to computationally model and calculate electronic stopping power.

Año de publicación:

2018

Keywords:

• First principles
• Electronic stopping power
• Radiation effects
• Time Dependent Density Functional Theory

Fuente:

scopus