354 citations · 535 across the 13 of their papers we have counts for
13 papers
Electronic and structural properties of group IV materials and their polytypes
Jakub Ziembicki, Paweł Scharoch, Maciej P. Polak +2
Nanotechnology's impact on semiconductor industry advancement, particularly through the engineering of nanostructures like nanowires, opens new possibilities for material functiona…
Material gain and eight-band k.p description for selected perovskites
Krzysztof Gawarecki, Michał Wiśniewski, Maciej Polak +2
In this work, we present a ready-to-use symmetry invariant expansion form of the eight-band k.p Hamiltonian for inorganic and organic metal halide perovskites (CsPbX and MAPbX$…
Extracting Accurate Materials Data from Research Papers with Conversational Language Models and Prompt Engineering
Maciej P. Polak, Dane Morgan
There has been a growing effort to replace manual extraction of data from research papers with automated data extraction based on natural language processing, language models, and…
Flexible, Model-Agnostic Method for Materials Data Extraction from Text Using General Purpose Language Models
Maciej P. Polak, Shrey Modi, Anna Latosinska +5
Accurate and comprehensive material databases extracted from research papers are crucial for materials science and engineering, but their development requires significant human eff…
The effect of isovalent doping on the electronic band structure of group IV semiconductors
Maciej P Polak, Paweł Scharoch, Robert Kudrawiec
The band gap engineering of group IV semiconductors has not been well explored theoretically and experimentally, except for SiGe. Recently, GeSn has attracted much attention due to…
Machine learning for impurity charge-state transition levels in semiconductors from elemental properties using multi-fidelity datasets
Maciej P. Polak, Ryan Jacobs, Arun Mannodi-Kanakkithodi +2
Quantifying charge-state transition energy levels of impurities in semiconductors is critical to understanding and engineering their optoelectronic properties for applications rang…
Modified Band Alignment Method to Obtain Hybrid Functional Accuracy from Standard DFT: Application to Defects in Highly Mismatched III-V:Bi Alloys
Maciej P. Polak, Robert Kudrawiec, Ryan Jacobs +2
This paper provides an accurate theoretical defect energy database for pure and Bi-containing III-V (III-V:Bi) materials and investigates efficient methods for high-throughput defe…
MAST-SEY: MAterial Simulation Toolkit for Secondary Electron Yield. A monte carlo approach to secondary electron emission based on complex dielectric functions
Maciej P. Polak, Dane Morgan
MAST-SEY is an open-source Monte Carlo code capable of calculating secondary electron emission using input data generated entirely from first principle (density functional theory)…
Electronic band structure of nitrogen diluted Ga(PAsN): Formation of the intermediate band, direct and indirect optical transitions, localization of states
Maciej P. Polak, Robert Kudrawiec, Oleg Rubel
The electronic band structure of Ga(PAsN) with a few percent of nitrogen is calculated in the whole composition of Ga(PAs) host using the state-of-the-art density functional method…
Strain and Band-Gap Engineering in Ge-Sn Alloys via P Doping
Slawomir Prucnal, Yonder Berencén, Mao Wang +19
Ge with a quasi-direct band gap can be realized by strain engineering, alloying with Sn, or ultrahigh n-type doping. In this work, we use all three approaches together to fabricate…
Ab initio study of InxGa(1-x)N - performance of the alchemical mixing approximation
P. Scharoch, M. J. Winiarski, M. P. Polak
The alchemical mixing approximation which is the ab initio pseudopotential specific implementation of the virtual crystal approximation (VCA), offered in the ABINIT package, has be…
Anomalous band-gap bowing of AlN(1-x)Px alloy
M. J. Winiarski, M. Polak, P. Scharoch
Electronic structure of zinc blende AlN(1-x)$Px alloy has been calculated from first principles. Structural optimisation has been performed within the framework of LDA and the band…
First principles prediction of structural and electronic properties of TlxIn(1-x)N alloy
M. J. Winiarski, P. Scharoch, M. P. Polak
Structural and electronic properties of zinc blende TlxIn(1-x)N alloy have been evaluated from first principles. The band structures have been obtained within the density functiona…