219 citations · 219 across the 13 of their papers we have counts for
4 papers · 1 filter
The quantum geometry of the chemical bond
Gabrielle Carrel, Nishchhal Verma, Fatmagül Katmer +2
Electronic properties of materials depend both on band energies and quantum geometry of electronic states. We relate bonding indices to the quantum geometric tensor (QGT), showing…
Chiral, Electronically Decoupled Layers of 1T'-WS2 Topological Insulator via Neutral-Molecule Intercalation
Jiaze Xie, Fatmagül Katmer, Fang Yuan +9
Monolayer 1T'-WS2 is predicted to be a two-dimensional topological insulator, but its intrinsic electronic properties are masked by strong interlayer coupling in its metallic and s…
Reversible Superdense Ordering of Tetragonal Lithium in a Layered Material
Natalie L. Williams, Stephen D. Funni, Sihun Lee +14
Understanding lithium (Li) ordering and dynamics is foundational in energy storage. X-ray based experimental methods do not simultaneously provide atomic structure information toge…
New Crystal Structures Hide in Plain Sight: A Stress Test for AI-Guided Materials Discovery
Xin Zhang, Scott B. Lee, Sudipta Chatterjee +14
New types of crystal structures are discovered only rarely, and the artificial intelligence (AI) models now reshaping materials discovery have so far produced new chemical composit…