83 citations · 221 across the 10 of their papers we have counts for
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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…
Choosing Tight-Binding Models for Accurate Optoelectronic Responses
Andreas Ghosh, Aaron M. Schankler, Andrew M. Rappe
Tight-binding models provide great insight and are a low-cost alternative to \emph{ab initio} methods for calculation of a material's electronic structure. These models are used to…
Range-Separated Hybrid Functional Pseudopotentials
Yang Yang, Georgia Prokopiou, Tian Qiu +4
Consistency between the exchange-correlation (xc) functional used during pseudopotential construction and planewave-based electronic structure calculations is important for an accu…
Li iontronics in single-crystalline T-Nb2O5 thin films with vertical ionic transport channels
Hyeon Han, Quentin Jacquet, Zhen Jiang +13
The niobium oxide polymorph T-Nb2O5 has been extensively investigated in its bulk form especially for applications in fast-charging batteries and electrochemical (pseudo)capacitors…
Large Bulk Piezophotovoltaic Effect of Monolayer -MoS
Aaron M. Schankler, Lingyuan Gao, Andrew M. Rappe
The bulk photovoltaic effect in noncentrosymmetric materials is an intriguing physical phenomenon that holds potential for high-efficiency energy harvesting. Here, we study the shi…
Phonon-Assisted Ballistic Current From First Principles Calculations
Zhenbang Dai, Aaron M. Schankler, Lingyuan Gao +2
The bulk photovoltaic effect (BPVE) refers to current generation due to illumination by light in a homogeneous bulk material lacking inversion symmetry. In addition to the intensiv…