no code implementations • 12 Feb 2021 • Ling-Fang Lin, Nitin Kaushal, Cengiz Şen, Andrew D. Christianson, Adriana Moreo, Elbio Dagotto
Moreover, for bonds with TMs antiferromagnetically ordered, counterintuitively our calculations show that oxygens should also have a net magnetization for the super-super-exchange cases TM-O-O-TM while for only one oxygen, as in Cu-O-Cu, the O-polarization should cancel.
Strongly Correlated Electrons
no code implementations • 24 Dec 2020 • Yang Zhang, Ling-Fang Lin, Adriana Moreo, Gonzalo Alvarez, Elbio Dagotto
Our phonon calculations indicate that the orthorhombic $Pmm2$ FE-II phase is the most likely ground state, involving a ferroelectric distortion along the $a$-axis and V-V dimerization along the $b$-axis.
Strongly Correlated Electrons
no code implementations • 21 Nov 2020 • Ling-Fang Lin, Nitin Kaushal, Yang Zhang, Adriana Moreo, Elbio Dagotto
We show that this degeneracy is broken and a novel $d_{yz}$/$d_{xz}$ staggered orbital pattern is here predicted by both the first-principles and Hubbard model calculations.
Strongly Correlated Electrons
