Wejdan Beida

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cond-mat.mtrl-sci2026

Emergence of a non-bulk hexagonal Fe $_{2}$ S $_{2}$ single layer via phase transformation

Affan Safeer, Wejdan Beida, Felix Oberbauer +8

Two-dimensional materials can stabilize crystal structures that are absent from their bulk counterparts, offering opportunities for materials design. Here, we report the synthesis…

cond-mat.mtrl-sci2026

Implementation and application of a DFT $+ U$ $+ V$ approach within the all-electron FLAPW method

Wejdan Beida, Gustav Bihlmayer, Christoph Friedrich +3

We present an implementation of the density-functional theory DFT $+ U$ $+ V$ formalism within the all-electron full-potential linearized augmented-plane-wave (FLAPW) method as impleme…

Emergence of a non-bulk hexagonal Fe2​S2​ single layer via phase transformation

Implementation and application of a DFT+U+V approach within the all-electron FLAPW method

Emergence of a non-bulk hexagonal Fe $_{2}$ S $_{2}$ single layer via phase transformation

Implementation and application of a DFT $+ U$ $+ V$ approach within the all-electron FLAPW method