arXiv subjects

Filip Tuomisto

Publications and source records attributed to Filip Tuomisto.

8 recordsLinked to original sources

arXiv2025

Nanoscale structure formation in nickel-aluminum alloys synthesized far from equilibrium

The present study reports on the structure formation in thin epitaxial nickel-aluminum films (Ni1-xAlx; Al atomic fraction x up to x=0.24) grown on MgO(001) substrates by magnetron sputtering. Experimental and computational data demonstrate that for x<0.11, the films exhibit the face-centered cubic random solid-solution Ni1-xAlx structure ({\gamma}). Whereas in the range x=0.11-0.24 the phase coexists with the ordered L12 structure ({\gamma}' phase). The two phases are homogenously intermixed forming a coherent and strained nano-solution, which exhibits a single lattice parameter that expands as the Al content increases. Isothermal annealing of films containing x=0.14 of Al, coupled with structural and nano-mechanical characterization, reveal that the nano-solution retains its overall integrity for temperatures up to 673 K, while the film hardness increases from 5.5 GPa (as deposited films) to 6 GPa. Further increase of the annealing temperature to 873 K and 1073 K causes the nano-solution to dissolve into distinct {\gamma} and {\gamma}' phase domains and the hardness to decrease down to values of 4 GPa. These findings confirm the metastable nature of the as-deposited thin Ni1-xAlx alloy films and underpin the effectiveness of high supersaturation/undercooling for creating non-equilibrium phases and self-organized nanostructures upon synthesis of multicomponent materials.

cond-mat.mtrl-sci↗

arXiv2023

Quantum Monte Carlo study of Doppler broadening of positron annihilation radiation in semiconductors and insulators

Positron annihilation in solid state matter can be utilized to detect and identify open-volume defects. The momentum distribution of the annihilation radiation is an important observable in positron-based measurements, and can reveal information on the chemical surroundings of the defect sites. In this work we present a variational quantum Monte Carlo method for simulation of the momentum densities of annihilating electron-positron pairs in semiconductors and insulators. We study finite-size effects, effects of lattice vibrations, and different levels of trial wave functions. Small simulation cells and simple wave function forms are found to be sufficient for accurate calculations in simulation of pristine lattices, enabling cheap accumulation of results. We compare calculated predictions of the Doppler broadening of the 511-keV 2{\gamma} annihilation line of the in aluminium nitride and silicon against experimental data measured from reference samples. Our results achieve better agreement with experiments in the these materials than conventional state-of-the-art methods, and proves that direct modeling of the electron-positron correlations is important for a supporting theory of positron annihilation sprectroscopies

cond-mat.mtrl-sci↗

arXiv2020

Split Ga vacancies and the unusually strong anisotropy of positron annihilation spectra in $\boldsymbolβ$-Ga$_2$O$_3$

We report a systematic first principles study on positron annihilation parameters in the $β$-Ga$_2$O$_3$ lattice and Ga mono-vacancy defects complemented with orientation-dependent experiments of the Doppler broadening of the positron-electron annihilation. We find that both the $β$-Ga$_2$O$_3$ lattice and the considered defects exhibit unusually strong anisotropy in their Doppler broadening signals. This anisotropy is associated with low symmetry of the $β$-Ga$_2$O$_3$ crystal structure that leads to unusual kind of one-dimensional confinement of positrons even in the delocalized state in the lattice. In particular, the split Ga vacancies recently observed by scanning transmission electron microscopy produce unusually anisotropic positron annihilation signals. We show that in experiments, the positron annihilation signals in $β$-Ga$_2$O$_3$ samples seem to be often dominated by split Ga vacancies.

cond-mat.mtrl-sci↗

arXiv2016

Understanding and Control of Bipolar Doping in Copper Nitride

Semiconductor materials that can be doped both n-type and p-type are desirable for diode-based applications and transistor technology. Copper nitride (Cu3N) is a metastable semiconductor with a solar-relevant bandgap that has been reported to exhibit bipolar doping behavior. However, deeper understanding and better control of the mechanism behind this behavior in Cu3N is currently lacking in the literature. In this work, we use combinatorial growth with a temperature gradient to demonstrate both conduction types of phase-pure, sputter-deposited Cu3N thin films. Room temperature Hall effect and Seebeck effect measurements show n-type Cu3N with 10^17 electrons/cm^3 for low growth temperature (~35 degrees C) and p-type with 10^15-10^16 holes/cm^3 for elevated growth temperatures (50-120 degrees C). Mobility for both types of Cu3N was ~0.1-1 cm^2/Vs. Additionally, temperature- dependent Hall effect measurements indicate that ionized defects are an important scattering mechanism in p-type films. By combining X-ray absorption spectroscopy and first-principles defect theory, we determined that V_Cu defects form preferentially in p-type Cu3N while Cu_i defects form preferentially in n-type Cu3N. Based on these theoretical and experimental results, we propose a kinetic defect formation mechanism for bipolar doping in Cu3N, that is also supported by positron annihilation experiments. Overall, the results of this work highlight the importance of kinetic processes in the defect physics of metastable materials, and provide a framework that can be applied when considering the properties of such materials in general.

cond-mat.mtrl-sci↗

arXiv2011

Defect evolution and interplay in n-type InN

The nature and interplay of intrinsic point and extended defects in n-type Si-doped InN epilayers with free carrier concentrations up to 6.6x10E20cm-3 are studied using positron annihilation spectroscopy and transmission electron microscopy and compared to results from undoped irradiated films. In as-grown Si-doped samples, V_In-V_N complexes are the dominant III-sublattice related vacancy defects. Enhanced formation of larger V_In-mV_N clusters is observed at the interface, which speaks for high concentrations of additional V_N in the near-interface region and coincides with an increase in the density of screw and edge type dislocations in that area.

cond-mat.mtrl-sci↗

arXiv2011

Tracking defect-induced ferromagnetism in GaN:Gd

We report on the magnetic properties of GaN:Gd layers grown by molecular beam epitaxy (MBE). A poor reproducibility with respect to the magnetic properties is found in these samples. Our results show strong indications that defects with a concentration of the order of 10^19 cm^-3 might play an important role for the magnetic properties. Positron annihilation spectroscopy does not support the suggested connection between the ferromagnetism and the Ga vacancy in GaN:Gd. Oxygen co-doping of GaN:Gd promotes ferromagnetism at room temperature and points to a role of oxygen for mediating ferromagnetic interactions in Gd doped GaN.

cond-mat.mtrl-sci↗

arXiv2011

Identifying vacancy complexes in compound semiconductors with positron annihilation spectroscopy: a case study of InN

We present a comprehensive study of vacancy and vacancy-impurity complexes in InN combining positron annihilation spectroscopy and ab-initio calculations. Positron densities and annihilation characteristics of common vacancy-type defects are calculated using density functional theory and the feasibility of their experimental detection and distinction with positron annihilation methods is discussed. The computational results are compared to positron lifetime and conventional as well as coincidence Doppler broadening measurements of several representative InN samples. The particular dominant vacancy-type positron traps are identified and their characteristic positron lifetimes, Doppler ratio curves and lineshape parameters determined. We find that In vacancies and their complexes with N vacancies or impurities act as efficient positron traps, inducing distinct changes in the annihilation parameters compared to the InN lattice. Neutral or positively charged N vacancies and pure N vacancy complexes on the other hand do not trap positrons. The predominantly introduced positron trap in irradiated InN is identified as the isolated In vacancy, while in as-grown InN layers In vacancies do not occur isolated but complexed with one or more N vacancies. The number of N vacancies per In vacancy in these complexes is found to increase from the near surface region towards the layer-substrate interface.

cond-mat.mtrl-sci↗

arXiv2010

In vacancies in InN grown by plasma-assisted molecular beam epitaxy

The authors have applied positron annihilation spectroscopy to study the effect of different growth conditions on vacancy formation in In- and N-polar InN grown by plasma-assisted molecular beam epitaxy. The results suggest that the structural quality of the material and limited diffusion of surface adatoms during growth dictate the In vacancy formation in low electron-density undoped epitaxial InN, while growth conditions and thermodynamics have a less important role, contrary to what is observed in, e.g., GaN. Further, the results imply that in high quality InN, the electron mobility is likely limited not by ionized point defect scattering, but rather by threading dislocations.

cond-mat.mtrl-sci↗