We present efficient methods for Brillouin zone integration with a non-zero but possibly very small broadening factor $\eta$, focusing on cases in which downfolded Hamiltonians can be evaluated efficiently using Wannier interpolation. describe robust, high-order accurate algorithms automating convergence to user-specified error tolerance $\varepsilon$, emphasizing an computational scaling respe...

1 Mathematics Department, Pennsylvania State University, University Park, Pennsylvania, USA. E-mail: [email protected] 2 Instituto de Matemática Pura e Aplicada, Rio de Janeiro, Brazil. E-mail: [email protected] 3 Departamento de Matemática, Universidade Federal de Pernambuco, Recife, Brazil. 4 Institute for Mathematical Sciences and Mathematics Department, State University of New York, Stony ...

Abstract Vibration energy harvesting is an emerging technology that enables electric power generation using piezoelectric devices. The prevailing approach for characterization of the energy-harvesting capacity in these devices to consider a finite structure operating under forced vibration conditions. Here, we present alternative framework whereby intrinsic characteristics are formally quantifi...

Abstract We present a high speed adaptive tetrahedral mesh refinement method based on the Recursive Multi-Tree algorithm. To our knowledge, this is the first refinement algorithm that is able to improve the quality of the original mesh. In this paper, the method has been applied to discretize the Brillouin zone of silicon for full band Monte Carlo device simulation. Densities of states for seve...

We propose a method to control the number of species of lattice fermions, which yields new classes of minimally doubled lattice fermions with one exact chiral symmetry and exact locality. We classify all the known minimally doubled fermions into two types based on the locations of the propagator poles in the Brillouin zone. We also study higher-dimensional extension of them and show it tends to...

A complete mapping in the Brillouin zone of the structural instability associated with the ferroelectric phase transitions of KNbO3 has been obtained by first-principles calculations using a linear response approach. The wavevector dependence of the instability reveals pronounced two-dimensional character, which corresponds to chains oriented along 〈100〉 directions of displaced Nb atoms. The re...