Abstract Scope |
I will discuss with the spectacular example of the cuprate high-Tc superconductors how advanced density functionals are enabling new insights into the electronic structure, phase diagrams and magnetism of a wide variety of materials that have until now been considered to be so strongly correlated as to lie outside the scope of first-principles treatment [1-3]. I will also comment on the opportunities for a new generation of predictive modeling in correlated materials more generally, including the topological phases of quantum matter, which are drawing intense current interest [4]. Work supported by the U.S. Department of Energy.
[1] J. W. Furness et al., Nature Communications Physics 1, 11 (2018).
[2] C. Lane et al., Phys. Rev. B. 98, 125140 (2018).
[3] Y. Zhang et al., arXiv:1809.08457.
[4] A. Bansil, H. Lin and T. Das, Reviews of Modern Physics 88, 021004 (2016). |