A team of scientists from Caltech and Yale University has shown for the first time how to accurately quantify an important quantum phenomenon in metals, called the Kondo effect, for specific real materials. Unlike previous approaches, which for decades have relied on simplified models to qualitatively describe the effect, the new work uses the actual atomic and electronic structures of materials to solve the problem directly.
The work represents a step toward simulations of important quantum materials such as high-temperature superconductors, in which the motions of individual electrons depend so sensitively on what other electrons are doing at any moment that they cannot be averaged together.
The team describes the new technique and results in a paper published in Science. The lead authors are Linqing Peng (Ph. D.) and Tianyu Zhu of Yale University. Both Peng and Zhu started working on the project in the lab of Garnet Chan, Bren Professor of Chemistry and director of the Rudolph A. Marcus Center for Theoretical Chemistry at Caltech.
