Author

Kayahan Saritas

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Open access Sep 2026

The Role of Intrinsic Defects in the Structural Transition of Superconducting La3Ni2O7: A Many-Body DMC Prediction

The pressure-induced structural phase transitions of the superconducting Ruddlesden–Popper nickelate La3Ni2O7 remain under active debate. While the Amam phase is generally identified as the non-superconducting ambient-pressure structure, several higher-symmetry phases have been proposed to emerge under compression; the...

Abdul Ghaffar, Kayahan Saritas, F. Reboredo · Chemistry of Materials · 0 citations

Preprint Sep 2026

Diffusion Quantum Monte Carlo Benchmark of Interlayer Binding and Charge Redistribution in Chemically Distinct Two-Dimensional Van Der Waals Bilayers

Interlayer interactions in two-dimensional materials can generate emergent phenomena absent in their constituent monolayers, including unconventional magnetic order, multiferroicity, and topological magnetic phases. Predicting such emergent behavior requires simultaneously resolving long-range dispersion, short-range o...

Kayahan Saritas, Hyeon-Jong Shin, Jaron T. Krogel et al. · 0 citations