22 citations · 22 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2026
Diagonal Curvature in Second Order Jahn Teller Theory Can Be Negative: An Analytic Proof with First-Principles Confirmation in NH3
Zhian Li, Hanxiang Mi, Xiyue Cheng +2
We demonstrate that the diagonal curvature in second-order Jahn-Teller theory (SOJTT) can be negative, invalidating its foundational positivity assumption. Using a frozen-phonon ma…
cond-mat.str-el2016★ 22 cited
Spin orientations of the spin-half Ir4+ ions in Sr3NiIrO6, Sr2IrO4 and Na2IrO3: Density functional, perturbation theory and Madelung potential analyses
Elijah E. Gordon, Hongjun Xiang, Jürgen Köhler +1
The spins of the low-spin Ir4+ (S = 1/2, d5) ions at the octahedral sites of the oxides Sr3NiIrO6, Sr2IrO4 and Na2IrO3 exhibit preferred orientations with respect to their IrO6 oct…