News tagged with density functional theory

How to overcome the oxide barrier

(Phys.org) —Researchers at Pacific Northwest National Laboratory have uncovered the characteristics of a low-resistance electrical contact to strontium titanate, SrTiO3, an important prototypical oxide semi ...

May 13, 2013 5 / 5 (2) 0 | with audio podcast

Team maps the nuclear landscape

An Oak Ridge National Laboratory and University of Tennessee team has used the Department of Energy's Jaguar supercomputer to calculate the number of isotopes allowed by the laws of physics.

Jun 27, 2012 5 / 5 (5) 1 | with audio podcast

Iodate refuses to intimidate

Like a bull in a china shop, a massive, iodine-based ion called iodate should disrupt the surrounding water molecules until it is forcibly expelled. However, it doesn't. This disconnect between the molecule's ...

Nov 08, 2011 5 / 5 (1) 0