4 papers
Performance of Tkatchenko-Scheffler Dispersion Method with Updated van der Waals Radii: Importance for Alkali-Containing Systems
Aaron M. Schankler, Ruyi Song, Sampreeti Bhattacharya +5
The Tkatchenko-Scheffler (TS) pairwise method to calculate dispersion interactions is a widely used approach to incorporate missing long-range van der Waals contributions in semilo…
Direct spatiotemporal imaging of carriers reveals a long-lived bulk photovoltaic mechanism
Saptam Ganguly, Sebin Varghese, Aaron M. Schankler +6
The bulk photovoltaic effect (BPVE), a manifestation of broken centrosymmetry, has attracted interest as a probe of the symmetry and quantum geometry of materials, and for use in p…
Proton Quantum Effects in HS Electronic Structure: A Multicomponent DFT study via Nuclear-Electronic Orbital Method
Jianhang Xu, Aaron M. Schankler, Yosuke Kanai
We investigate the impact of the quantum effects of protons on the electronic structure of high-pressure HS, a benchmark hydrogen-rich superconductor with a critical temperatur…
Reconfigurable, non-volatile control of optical anisotropy in ReS2 via ferroelectric gating
Mahfujur Rahaman, Seunguk Song, Aaliyah C. Khan +8
Electrically tunable linear dichroism (LD) with non-volatile properties represents a critical yet elusive feature for next-generation integrated photonic elements in practical devi…