31 citations · 86 across the 11 of their papers we have counts for
12 papers
Strain tunability of electron and hole g-factors in CsPb: bulk and nanocrystals
Aleksander Cząstkiewicz, Paweł Scharoch, Krzysztof Gawarecki
In this paper, we theoretically study the electron and hole -factors in inorganic lead-halide perovskites for the reference cubic phase. We employ an 18-band model a…
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…
Electronic and spectral properties of Ge1-xSnx quantum dots: an atomistic study
Krzysztof Gawarecki, Jakub Ziembicki, Paweł Scharoch +1
In this paper, we study theoretically the electron and spectral properties of Ge1-xSnx systems, including alloys, cubic- and spherical quantum dots. The single-particle electron an…
Magneto-optical anisotropies of 2D antiferromagnetic MPX from first principles
Miłosz Rybak, Paulo E. Faria Junior, Tomasz Woźniak +3
Here we systematically investigate the impact of the spin direction on the electronic and optical properties of transition metal phosphorus trichalcogenides (MPX, M=Mn, Ni, Fe;…
Optical markers of magnetic phase transition in CrSBr
W. M. Linhart, M. Rybak, M. Birowska +6
Here, we investigate the role of the interlayer magnetic ordering of CrSBr in the framework of calculations and by using optical spectroscopy techniques. These…
Stress-Tuned Optical Transitions in Layered 1T-MX2 (M= Hf, Zr, Sn; X= S, Se) Crystals
Miłosz Rybak, Tomasz Woźniak, Magdalena Birowska +5
Optical measurements under externally applied stresses allow us to study the materials' electronic structure by comparing the pressure evolution of optical peaks obtained from expe…
Strong substrate strain effects in multilayered WS2 revealed by high-pressure optical measurements
Robert Oliva, Tomasz Woźniak, Paulo E. Faria Junior +5
The optical properties of two-dimensional materials can be effectively tuned by strain induced from a deformable substrate. In the present work we combine first-principles calculat…
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…
Invariant expansion of the 30-band k.p model and its parameters for III-V compounds
Krzysztof Gawarecki, Paweł Scharoch, Michał Wiśniewski +4
In this work we derive a ready-to-use symmetry invariant expansion of the full-zone 30-band k.p Hamiltonian for the Td point group. In order to find respective parameters, the band…
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…