No Arabic abstract
We report the capability to simulate in a quantum mechanical tight-binding (TB) atomistic fashion NW devices featuring several hundred to millions of atoms and diameter up to 18 nm. Such simulations go far beyond what is typically affordable with todays supercomputers using a traditional real space (RS) TB Hamiltonian technique. We have employed an innovative TB mode space (MS) technique instead and demonstrate large speedup (up to 10,000x) while keeping good accuracy (error smaller than 1 percent) compared to the RS NEGF method. Such technique and capability open new avenues to explore and understand the physics of nanoscale and mesoscopic devices dominated by quantum effects. In particular, our method addresses in an unprecedented way the technological relevant case of band-to-band tunneling (BTBT) in III-V nanowire MOSFETs and broken gap heterojunction tunnel-FETs (TFETs). We demonstrate an accurate match of simulated BTBT currents to experimental measurements in a [111] InAs NW having a 12 nm diameter and a 300 nm long channel. We apply the predictivity of our TB MS simulations and report an in-depth atomistic study of the scaling potential of III-V GAA nanowire heterojunction n and pTFETs quantifying the benefits of this technology for low-power, low-voltage CMOS application. At VDD = 0.3 V and IOFF = 50 pA/um, the on-current (Ion) and energy-delay product (ETP) gain over a Si NW GAA MOSFET are 58x and 56x respectively.
We propose a simple and effective approach to construct the empirical tight-binding parameters of ternary alloys in the virtual crystal approximation. This combines a new, compact formulation of the strain parameters and a linear interpolation of the hamiltonians of binary materials strained to the alloy equilibrium lattice parameter. We show that it is possible to obtain a perfect description of the bandgap bowing of ternary alloys in the InGaAsSb family of materials. Furthermore, this approach is in a good agreement with supercell calculations using the same set of parameters. This scheme opens a way for atomistic modeling of alloy-based opto-electronic devices without extensive supercell calculations.
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 nearest neighbor interactions for arbitrarily strained group IV and III-V materials. The tight binding model is parameterized with respect to Hybrid functional(HSE06) calculations for varieties of strained systems. The tight binding calculations of ultra small superlattices formed by group IV and group III-V materials show good agreement with the corresponding HSE06 calculations. The application of tight binding model to superlattices demonstrates that transferable tight binding model with nearest neighbor interactions can be obtained for group IV and III-V materials.
Artificial graphene consisting of honeycomb lattices other than the atomic layer of carbon has been shown to exhibit electronic properties similar to real graphene. Here, we reverse the argument to show that transport properties of real graphene can be captured by simulations using theoretical artificial graphene. To prove this, we first derive a simple condition, along with its restrictions, to achieve band structure invariance for a scalable graphene lattice. We then present transport measurements for an ultraclean suspended single-layer graphene pn junction device, where ballistic transport features from complex Fabry-Perot interference (at zero magnetic field) to the quantum Hall effect (at unusually low field) are observed and are well reproduced by transport simulations based on properly scaled single-particle tight-binding models. Our findings indicate that transport simulations for graphene can be efficiently performed with a strongly reduced number of atomic sites, allowing for reliable predictions for electric properties of complex graphene devices. We demonstrate the capability of the model by applying it to predict so-far unexplored gate-defined conductance quantization in single-layer graphene.
In this work, we investigate the transport phenomena in compound semiconductor material based buried channel Quantum Well MOSFET with a view to developing a simple and effective model for the device current. Device simulation has been performed in quantum ballistic regime using non-equilibrium Greens function (NEGF) formalism. The simulated current voltage characteristics using a novel concept of effective transmission coefficient has been found to define the reported experimental data with high accuracy. The proposed model has also been effective to capture the transport characteristics reported for other compound semiconductor material based field effect transistors. The concept of the proposed effective transmission coefficient and hence the model lends itself to be a simple and powerful device analysis tool which can be extensively used to predict the performance of a wide variety of compound semiconductor devices in the pre fabrication stage. It has also demonstrated consistency with device characteristics for doping concentration and channel length scaling. Thus the model can help the device or process engineers to tune the devices for the best possible performance.
Classically coherent dynamics analogous to those of quantum two-level systems are studied in the setting of force sensing. We demonstrate quantitative control over the coupling between two orthogonal mechanical modes of a nanowire cantilever, through measurement of avoided crossings as we deterministically position the nanowire inside an electric field. Furthermore, we demonstrate Rabi oscillations between the two mechanical modes in the strong coupling regime. These results give prospects of implementing coherent two-mode control techniques for force sensing signal enhancement.