SearcharxivSearch

arXiv subjects

Masaya Iwamoto

Publications and source records attributed to Masaya Iwamoto.

2 recordsLinked to original sources

Compact Model Parameter Extraction via Derivative-Free Optimization

In this paper, we address the problem of compact model parameter extraction to simultaneously extract tens of parameters via derivative-free optimization. Traditionally, parameter extraction is performed manually by dividing the complete set of parameters into smaller subsets, each targeting different operational regions of the device, a process that can take several days or weeks. Our approach streamlines this process by employing derivative-free optimization to identify a good parameter set that best fits the compact model without performing an exhaustive number of simulations. We further enhance the optimization process to address three critical issues in device modeling by carefully choosing a loss function that focuses on relative errors rather than absolute errors to ensure consistent performance across different orders of magnitude, prioritizes accuracy in key operational regions above a specific threshold, and reduces sensitivity to outliers. Furthermore, we utilize the concept of train-test split to assess the model fit and avoid overfitting. We demonstrate the effectiveness of our approach by successfully modeling a diamond Schottky diode with the SPICE diode model and a GaN-on-SiC HEMT with the ASM-HEMT model. For the latter, which involves extracting 35 parameters for the ASM-HEMT DC model, we identified the best set of parameters in under 6,000 trials. Additional examples using both devices are provided to demonstrate robustness to outliers, showing that an excellent fit is achieved even with over 25% of the data purposely corrupted. These examples demonstrate the practicality of our approach, highlighting the benefits of derivative-free optimization in device modeling.

cs.LG

First-principles accurate total-energy surfaces for polar structural distortions of BaTiO3, PbTiO3, and SrTiO3: consequences to structural transition temperatures

Specific forms of the exchange correlation energy functionals in first-principles density functional theory-based calculations, such as the local density approximation (LDA) and generalized-gradient approximations (GGA), give rise to structural lattice parameters with typical errors of -2% and 2%. Due to a strong coupling between structure and polarization, the order parameter of ferroelectric transitions, they result in large errors in estimation of temperature dependent ferroelectric structural transition properties. Here, we employ a recently developed GGA functional of Wu and Cohen [Phys. Rev. B 73, 235116 (2006)] and determine total-energy surfaces for zone-center distortions of BaTiO3, PbTiO3, and SrTiO3, and compare them with the ones obtained with calculations based on standard LDA and GGA. Confirming that the Wu and Cohen functional allows better estimation of structural properties at 0 K, we determine a new set of parameters defining the effective Hamiltonian for ferroelectric transition in BaTiO3. Using the new set of parameters, we perform molecular-dynamics (MD) simulations under effective pressures p=0.0 GPa, p=-2.0 GPa, and p=-0.005T GPa. The simulations under p=-0.005T GPa, which is for simulating thermal expansion, show a clear improvement in the cubic to tetragonal transition temperature and c/a parameter of its ferroelectric tetragonal phase, while the description of transitions at lower temperatures to orthorhombic and rhombohedral phases is marginally improved. Our findings augur well for use of Wu-Cohen functional in studies of ferroelectrics at nano-scale, particularly in the form of epitaxial films where the properties depend crucially on the lattice mismatch.

cond-mat.mtrl-sci