172 citations · 609 across the 19 of their papers we have counts for
5 papers · 1 filter
High-throughput screening assisted discovery of a stable layered anti-ferromagnetic semiconductor: CdFeP2Se6
Manish Kothakonda, Yanglin Zhu, Yingdong Guan +8
Recent advances in two-dimensional (2D) magnetism have heightened interest in layered magnetic materials due to their potential for spintronics. In particular, layered semiconducti…
Critical role of magnetic moments on lattice dynamics in YBaCuO
Jinliang Ning, Christopher Lane, Yubo Zhang +6
The role of lattice dynamics in unconventional high-temperature superconductivity is still vigorously debated. Theoretical insights into this problem have long been prevented by th…
Testing the rSCAN density functional for the thermodynamic stability of solids with and without a van der Waals correction
Manish Kothakonda, Aaron D. Kaplan, Eric B. Isaacs +6
A central aim of materials discovery is an accurate and numerically reliable description of thermodynamic properties, such as the enthalpies of formation and decomposition. The r$^…
Ferromagnetic MnBi4Te7 obtained with low concentration Sb doping: A promising platform for exploring topological quantum states
Y. D. Guan, C. H. Yan, S. H. Lee +11
The tuning of magnetic phase, chemical potential, and structure is crucial to observe diverse exotic topological quantum states in (m = 0, 1, 2, & 3). Here…
Workhorse minimally-empirical dispersion-corrected density functional, with tests for weakly-bound systems: rSCAN+rVV10
Jinliang Ning, Manish Kothakonda, James W. Furness +5
SCAN+rVV10 has been demonstrated to be a versatile van der Waals (vdW) density functional that delivers good predictions of both energetic and structural properties for many types…