7 papers
In-Plane Ni-O-Ni Bond Angles as Structural Fingerprints of Superconductivity in Layered Nickelates: Effects of Pressure, Strain, Layering, and Correlations
Bipasa Samanta, Alexandru B. Georgescu
We investigate the structural and electronic conditions conducive to superconductivity in layered nickelates using density functional theory with Hubbard corrections (DFT+). For…
Accelerating Discovery of Metal-Insulator Transition Compounds Using Physics-Informed Machine Learning
Alexandru B. Georgescu, Peiwen Ren, Harshul Bhatt +4
Metal-insulator transition (MIT) materials are a useful platform for emerging microelectronic, optoelectronic, and neuromorphic devices, but their discovery is hindered by the high…
Symmetry-Driven Trimer Formation in Kagome Correlated Electron Materials
Varsha Kumari, Julia Bauer, Alexandru B. Georgescu
Correlated electron materials with molecular orbital states extending over transition metal clusters can host multiferroicity, spin frustration, and unconventional insulating phase…
Emerging Microelectronic Materials by Design: Navigating Combinatorial Design Space with Scarce and Dispersed Data
Hengrui Zhang, Alexandru B. Georgescu, Suraj Yerramilli +5
The increasing demands of sustainable energy, electronics, and biomedical applications call for next-generation functional materials with unprecedented properties. Of particular in…
Why Charge Added Using Transition Metals To Some Insulators -- Including LK-99 -- Localizes and Does Not Yield a Metal
Alexandru B. Georgescu
While adding charge to semiconductors via dopants is a well-established method for tuning electronic properties, we demonstrate that introducing transition metal impurities into ce…
Electronic Bound States in the Continuum in a 2D Metal
Morgan Thinel, Simon Turkel, Sebastian E. Rossi +11
Bound states in the continuum (BICs) are quantum states that remain localized despite existing within a continuum of extended, delocalized states. They defy conventional wave theor…