654 citations · 2.6k across the 28 of their papers we have counts for
29 papers
Thin Film Synthesis, Structural Analysis, and Magnetic Properties of Novel Ternary Transition Metal Nitride MnCoN2
Sita Dugu, Rebecca W Smaha, Shaham Quadir +8
Recent high-throughput computational searches have predicted many novel ternary nitride compounds providing new opportunities for materials discovery in under explored phase spaces…
Pb-apatite framework as a generator of novel flat-band CuO based physics
Rafal Kurleto, Stephan Lany, Dimitar Pashov +3
Based on DFT calculations, we present the basic electronic structure of CuPb9(PO4)6O (Cu-doped lead apatite, LK-99), in two scenarios: (1) where the structure is constrained to the…
Multiple Slater determinants and strong spin-fluctuations as key ingredients of the electronic structure of electron- and hole-doped PbCu(PO4)O
Dimitar Pashov, Swagata Acharya, Stephan Lany +2
LK-99, with chemical formula PbCu(PO4)O, was recently reported to be a room-temperature superconductor. While this claim has met with little support in a flurry of…
Investigating the Electronic Structure of Prospective Water-splitting Oxide BaCeMnO Before and After Thermal Reduction
Subhayan Roychoudhury, Sarah Shulda, Anuj Goyal +8
BaCeMnO (BCM), a non-stoichiometric oxide closely resembling a perovskite crystal structure, has recently emerged as a prospective contender for applicati…
Compositionally Complex Perovskite Oxides for Solar Thermochemical Water Splitting
Dawei Zhang, Hector A. De Santiago, Boyuan Xu +17
Solar thermochemical hydrogen generation (STCH) is a promising approach for eco-friendly H2 production, but conventional STCH redox compounds often suffer from thermodynamic and ki…
Computational Discovery of Two-Dimensional Rare-Earth Iodides: Promising Ferrovalley Materials for Valleytronics
Abhishek Sharan, Stephan Lany, Nirpendra Singh
Two-dimensional Ferrovalley materials with intrinsic valley polarization are rare but highly promising for valley-based nonvolatile random access memory and valley filter. Using Ki…