3 papers
cond-mat.mtrl-sci2026
Many-Body Destabilization of Intermediate Oxygen-Hole States
Anirudh Adavi, Kayahan Saritas, Ming Lei +3
Oxygen holes in transition-metal oxides can appear as localized polarons, symmetry-delocalized ligand holes, or intermediate states whose stability is controlled by subtle electron…
cond-mat.mtrl-sci2025
Toward improved property prediction of 2D materials using many-body quantum Monte Carlo methods
Daniel Wines, Jeonghwan Ahn, Anouar Benali +10
The field of two-dimensional (2D) materials has grown dramatically in the last two decades. 2D materials can be utilized for a variety of next-generation optoelectronic, spintronic…
cond-mat.mtrl-sci2025
Quantum Monte Carlo and density functional theory study of strain and magnetism in 2D 1T-VSe with charge density wave states
Daniel Wines, Akram Ibrahim, Nishwanth Gudibandla +18
Two-dimensional (2D) 1T-VSe has prompted significant interest due to the discrepancies regarding alleged ferromagnetism (FM) at room temperature, charge density wave (CDW) stat…