arXiv subjects

Piotr M. Kowalski

Publications and source records attributed to Piotr M. Kowalski.

27 records · Page 2Linked to original sources

arXiv2010

Charge Localization Dynamics induced by Oxygen Vacancies on the Titania TiO$_2$(110) Surface

The dynamics of an F--center created by an oxygen vacancy on the $\mathrm{TiO_{2}(110)}$ rutile surface has been investigated using {\it ab initio} molecular dynamics. These simulations uncover a truly complex, time-dependent behavior of fluctuating electron localization topologies in the vicinity of the oxygen vacancy. Although the two excess electrons are found to populate preferentially the second subsurface layer, they occasionally visit surface sites and also the third subsurface layer. This dynamical behavior of the excess charge explains hitherto conflicting interpretations of both theoretical findings and experimental data.

cond-mat.mtrl-sci↗

arXiv2010

The origin of peculiar molecular bands in cool DQ white dwarfs

The DQ white dwarfs are stars whose atmosphere is enriched with carbon, which for cool stars ($T_{\rm eff}<8000\rm \, K$) is indicated by the Swan bands of $\rm C_2$ in the optical part of their spectra. With decreasing effective temperature these molecular bands undergo a significant blueshift ($\sim 100-300 Å$). The origin of this phenomenon has been disputed over the last two decades and has remained unknown. We attempt to address this problem by investigating the impact of dense helium on the spectroscopic properties of molecular carbon under the physical conditions encountered inside helium-rich, fluid-like atmospheres of cool DQ white dwarfs. We found that the electronic transition energy $T_e$ increases monotonically with the helium density ($ΔT_{\rm e}\rm\, (eV)\sim1.6 \, \it ρ\rm \, (g/cm^3)$). This causes the Swan absorption to occur at shorter wavelengths compared with unperturbed $\rm C_2$. On the other hand the pressure-induced increase in the vibrational frequency is insufficient to account for the observed Swan bands shifts. This is consistent with the observations and indicates that the observed Swan-like molecular bands are most likely the pressure-shifted bands of $\rm C_2$.

astro-ph.SR↗

arXiv2009

Spitzer Observations of the Oldest White Dwarfs in the Solar Neighborhood

We present Spitzer 5-15 micron spectroscopy of one cool white dwarf and 3.6-8 micron photometry of 51 cool white dwarfs with T_eff < 6000 K. The majority of our targets have accurate BVRIJHK photometry and trigonometric parallax measurements available, which enables us to perform a detailed model atmosphere analysis using their optical, near- and mid-infrared photometry with state- of-the-art model atmospheres. We demonstrate that the optical and infrared spectral energy distributions of cool white dwarfs are well reproduced by our grid of models. Our best fit models are consistent with the observations within 5% in all filters except the IRAC 8 micron band, which has the lowest signal- to-noise ratio photometry. Excluding the ultracool white dwarfs, none of the stars in our sample show significant mid-infrared flux deficits or excesses. The non-detection of mid-infrared excess flux around our 2-9 Gyr old targets constrain the fraction of cool white dwarfs with warm debris disks to 0.8% (+1.5% -0.8%).

astro-ph.SR↗

arXiv2009

Composition, structure, and stability of the rutile TiO_2(110) surface: oxygen depletion, hydroxylation, hydrogen migration and water adsorption

A comprehensive phase diagram of lowest-energy structures and compositions of the rutile TiO_2(110) surface in equilibrium with a surrounding gas phase at finite temperatures and pressures has been determined using density functional theory in combination with a thermodynamic formalism. The exchange of oxygen, hydrogen, and water molecules with the gas phase is considered. Particular attention is given to the convergence of all calculations with respect to lateral system size and slab thickness. In addition, the reliability of semilocal density functionals to describing the energetics of the reduced surfaces is critically evaluated. For ambient conditions the surface is found to be fully covered by molecularly adsorbed water. At low coverages, in the limit of single, isolated water molecules, molecular and dissociative adsorption become energetically degenerate. Oxygen vacancies form in strongly reducing, oxygen-poor environments. However, already at slightly more moderate conditions it is shown that removing full TiO_2 units from the surface is thermodynamically preferred. In agreement with recent experimental observations it is furthermore confirmed that even under extremely hydrogen-rich environments the surface cannot be fully hydroxylated, but only a maximum coverage with hydrogen of about 0.6-0.7 monolayer can be reached. Finally, calculations of migration paths strongly suggest that hydrogen prefers to diffuse into the bulk over desorbing from the surface into the gas phase.

cond-mat.mtrl-sci↗

arXiv2008

A Nearby Old Halo White Dwarf Candidate from the Sloan Digital Sky Survey

We report the discovery of a nearby, old, halo white dwarf candidate from the Sloan Digital Sky Survey. SDSS J110217.48+411315.4 has a proper motion of 1.75 arcsec/year and redder optical colors than all other known featureless (type DC) white dwarfs. We present SDSS imaging and spectroscopy of this object, along with near-infrared photometry obtained at the United Kingdom Infra-Red Telescope. Fitting its photometry with up-to-date model atmospheres, we find that its overall spectral energy distribution is fit reasonably well with a pure hydrogen composition and T_eff~3800 K (assuming log g=8). That temperature and gravity would place this white dwarf at 35 pc from the Sun with a tangential velocity of 290 km/s and space velocities consistent with halo membership; furthermore, its combined main sequence and white dwarf cooling age would be ~11 Gyr. However, if this object is a massive white dwarf, it could be a younger object with a thick disk origin. Whatever its origin, the optical colors of this object are redder than predicted by any current pure hydrogen, pure helium or mixed hydrogen-helium atmospheric model, indicating that there remain problems in our understanding of the complicated physics of the dense atmospheres of cool white dwarfs.

astro-ph↗

arXiv2007

The First Mid-Infrared Spectra of Cool White Dwarfs

We present the first mid-infrared spectra of two cool white dwarfs obtained with the Spitzer Space Telescope. We also present 3.5-8 micron photometry for 19 cool white dwarfs with 5000K < Teff < 9000K. We perform a detailed model atmosphere analysis of these white dwarfs by fitting their UBVRIJHK and Spitzer photometry with state-of-the-art model atmospheres, and demonstrate that the optical and infrared spectral energy distributions of cool white dwarfs are well reproduced by our grid of models. Our mid-IR photometry and 7.5-14.5 micron spectrum of WD0018-267 are consistent with a Teff = 5720K, pure hydrogen white dwarf model atmosphere. On the other hand, LHS 1126 remains peculiar with significant mid-IR flux deficits in all IRAC bands and a featureless spectrum in the 5.2-7.5 micron range. Even though this deficit is attributed to collision induced absorption (CIA) due to molecular hydrogen, the shape of the deficit cannot be explained with current CIA opacity calculations. The infrared portion of the LHS 1126 spectral energy distribution is best-fit with a power law index of -1.99; identical to a Rayleigh-Jeans spectrum. This argues that the deficit may be due to an unrecognized grey-like opacity source in the infrared.

astro-ph↗

arXiv2007

White dwarf atmosphere models with Ly-$α$ opacity in the analysis of the white dwarf cooling sequence of NGC 6397

We discuss the importance of pure hydrogen white dwarf atmosphere models with Ly-$\rm α$ far red wing opacity in the analysis of the white dwarf cooling sequence of the globular cluster NGC 6397. Our recently improved atmosphere models account for the previously missing opacity from the Ly-$\rm α$ hydrogen line broadened by collisions of the absorbing hydrogen atoms with molecular and atomic hydrogen. These models are the first that well reproduce the UV colors and spectral energy distributions of cool white dwarfs with $T_{\rm eff}<6000 \rm K$ observed in the Galactic Disk. Fitting the observed $F814W$ magnitude and $F606W-F814W$ color we obtained a value for the true distance modulus, $μ=12.00 \pm 0.02$, that is in agreement with recent analyses. We show that the stars at the end of the cooling sequence appear to be $\rm \sim 160 K$ cooler when models that account for Ly-$\rm α$ opacity are used. This indicates that the age of NGC 6397 derived from the white dwarf cooling sequence using atmosphere models that do not include the correct Ly-$α$ opacity is underestimated by $\sim 0.5$ Gyr. Our analysis shows that it is essential to use white dwarf atmosphere models with Ly-$\rm α$ opacity for precise dating of old stellar populations from white dwarf cooling sequences.

astro-ph↗

arXiv2006

The Pseudo-continuum Bound-free Opacity of Hydrogen and its Importance in Cool White Dwarf Atmospheres

We investigate the importance of the pseudo-continuum bound-free opacity from hydrogen atoms in the atmospheres of cool white dwarfs. This source of absorption, when calculated by the occupation probability formalism applied in the modeling of white dwarf atmospheres with $T_{\rm eff}\rm <17000 K$, dominates all other sources of opacity at optical wavelengths. This is unrealistic and not observed. On the other hand, a significant flux suppression in the blue part of the spectra of cool white dwarfs has been reported, and mainly interpreted as a result of the pseudo-continuum absorption from atomic hydrogen. We investigate this problem by proposing a new, more realistic approach to calculating this source of opacity. We show that this absorption is orders of magnitude smaller than that predicted by current methods. Therefore, we rule out the pseudo-continuum opacity as a source of the flux deficiency observed in the spectra of cool white dwarfs.

astro-ph↗

arXiv2005

On the Dissociation Equilibrium of H2 in Very Cool, Helium-Rich White Dwarf Atmospheres

We investigate the dissociation equilibrium of $\rm H_2$ in very cool, helium-rich white dwarf atmospheres. We present the solution of the non-ideal chemical equilibrium for the dissociation of molecular hydrogen in a medium of dense helium. We find that at the photosphere of cool white dwarfs of $T_{\rm eff}\rm=4000 K$, the non-ideality results in an increase of the mole fraction of molecular hydrogen by up to a factor of $\sim 10$, compared to the equilibrium value for the ideal gas. This increases the $\rm H_{2}-He$ CIA opacity by an order of magnitude and will affect the determination of the abundance of hydrogen in very cool, helium-rich white dwarfs.

astro-ph↗