84 citations · 186 across the 10 of their papers we have counts for
10 papers
Metal Atom (Dis)Order and Superconductivity in YCaH () High-Pressure Superhydrides
Masashi W. Kimura, Seong Won Jang, Nisha Geng +1
High-pressure superhydrides have attracted much attention due to their high superconducting critical temperatures (s). Herein, density functional theory (DFT) calculati…
Epitaxial CeO2 Films as a Host for Quantum Applications
Pralay Paul, Kusal M. Abeywickrama, Nisha Geng +18
In highly purified host, the coherence of quantum emitters is ultimately limited by hyperfine interactions between the emitter and lattice nuclei possessing non-zero nuclear magnet…
Pulsed Laser Template Engineering- PLATEN
Dhiman Biswas, Junyeob Song, Francisco Guzman +16
Thin films of functional inorganic materials, particularly oxides, play a vital role in optoelectronics, enabling applications that range from active optical components to MEMS-bas…
Theoretical Predictions of MB5N5: Atom-Stuffed Boronitride Clathrate Cages Derived from the High-Pressure Superhydride
Nisha Geng, Giacomo Scilla, Eva Zurek
This study investigates 198 MX5Y5 (X, Y = B, C, or N) clathrate-like structures derived from MH10 superhydrides using high-throughput Density Functional Theory (DFT) geometry optim…
Superconductivity in Dilute Hydrides of Ammonia under Pressure
Xiaoyu Wang, Nisha Geng, Kyla de Villa +2
In the last decade, there has been great progress in predicting and synthesizing polyhydrides that exhibit superconductivity when squeezed. Dopants allow these compounds to become…
Superconductivity in CH4 and BH4- Containing Compounds Derived from the High-Pressure Superhydrides
Nisha Geng, Katerina P. Hilleke, Francesco Belli +2
Inspired by the synthesis of the high-pressure Fm-3m LaH10 superconducting superhydride, systematic density functional theory (DFT) calculations are performed to study ternaries th…
Structure, Stability and Superconductivity of N-doped Lutetium Hydrides at kbar Pressures
Katerina P. Hilleke, Xiaoyu Wang, Dongbao Luo +3
The structure of the material responsible for the room temperature and near ambient pressure superconductivity reported in an N-doped lutetium hydride [Nature, 615, 244 (2023)] has…
Conventional high-temperature superconductivity in metallic, covalently bonded, binary-guest C-B clathrates
Nisha Geng, Katerina P. Hilleke, Li Zhu +3
Inspired by the synthesis of XB3C3 (X= Sr, La) compounds in the bipartite sodalite clathrate structure, density functional theory (DFT) calculations are performed on members of thi…
Structural Diversity and Superconductivity in S-P-H Ternary Hydrides Under Pressure
Nisha Geng, Tiange Bi, Eva Zurek
Evolutionary structure searches revealed a plethora of stable and low-enthalpy metastable phases in the S-P-H ternary phase diagram under pressure. A wide variety of crystalline st…
A Metastable CaSH Phase Composed of HS Honeycomb Sheets that is Superconducting Under Pressure
Yan Yan, Tiange Bi, Nisha Geng +2
Evolutionary searches predicted a number of ternary phases that could be synthesized at pressures of 100-300~GPa. CaSH, CaSH, CaSH, and $I\ba…