96 citations · 520 across the 27 of their papers we have counts for
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Grain Boundary Resistance in Copper Interconnects from an Atomistic Model to a Neural Network
Daniel Valencia, Evan Wilson, Zhengping Jiang +3
Orientation effects on the resistivity of copper grain boundaries are studied systematically with two different atomistic tight binding methods. A methodology is developed to model…
Transferable tight binding model for strained group IV and III-V materials and heterostructures
Yaohua Tan, Michael Povolotskyi, Tillmann Kubis +2
It is critical to capture the effect due to strain and material interface for device level transistor modeling. We introduced a transferable sp3d5s* tight binding model with neares…
Surface Passivation in Empirical Tight Binding
Yu He, Yaohua Tan, Zhengping Jiang +3
Empirical Tight Binding (TB) methods are widely used in atomistic device simulations. Existing TB methods to passivate dangling bonds fall into two categories: 1) Method that expli…
Transferable tight binding model for strained group IV and III-V heterostructures
Yaohua P. Tan, Michael Povolotskyi, Tillmann Kubis +2
In this work, transferable empirical tight binding parameters of strained group IV and III-V semiconductors are generated from ab-initio calculations. The empirical tight binding p…
An Environment-dependent Semi-Empirical Tight Binding Model Suitable for Electron Transport in Bulk Metals, Metal Alloys, Metallic Interfaces and Metallic Nanostructures II - Effect of Confinement and Homogeneous Strain on Cu Conductance
Ganesh Hegde, Michael Povolotskyi, Tillmann Kubis +2
The Semi-Empirical TB model developed in part I is applied to metal transport problems of current relevance in part II. A systematic study of the effect of quantum confinement, tra…
An Environment-dependent Semi-Empirical Tight Binding Model Suitable for Electron Transport in Bulk Metals, Metal Alloys, Metallic Interfaces and Metallic Nanostructures I - Model and Validation
Ganesh Hegde, Michael Povolotskyi, Tillmann Kubis +2
Semi-Empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor device…
Empirical tight binding parameters for GaAs and MgO with explicit basis through DFT mapping
Yaohua Tan, Michael Povolotskyi, Tillmann Kubis +4
The Empirical Tight Binding(ETB) method is widely used in atomistic device simulations. The reliability of such simulations depends very strongly on the choice of basis sets and th…