arXiv subjects

A. Miglio

Publications and source records attributed to A. Miglio.

At least 55 records · Page 3Linked to original sources

arXiv2019

The Asteroseismic Target List (ATL) for solar-like oscillators observed in 2-minute cadence with the Transiting Exoplanet Survey Satellite (TESS)

We present the target list of solar-type stars to be observed in short-cadence (2-min) for asteroseismology by the NASA Transiting Exoplanet Survey Satellite (TESS) during its 2-year nominal survey mission. The solar-like Asteroseismic Target List (ATL) is comprised of bright, cool main-sequence and subgiant stars and forms part of the larger target list of the TESS Asteroseismic Science Consortium (TASC). The ATL uses Gaia DR2 and the Extended Hipparcos Compilation (XHIP) to derive fundamental stellar properties, calculate detection probabilities and produce a rank-ordered target list. We provide a detailed description of how the ATL was produced and calculate expected yields for solar-like oscillators based on the nominal photometric performance by TESS. We also provide publicly available source code which can be used to reproduce the ATL, thereby enabling comparisons of asteroseismic results from TESS with predictions from synthetic stellar populations.

astro-ph.SR↗

arXiv2019

AIMS - A new tool for stellar parameter determinations using asteroseismic constraints

A key aspect in the determination of stellar properties is the comparison of observational constraints with predictions from stellar models. Asteroseismic Inference on a Massive Scale (AIMS) is an open source code that uses Bayesian statistics and a Markov Chain Monte Carlo approach to find a representative set of models that reproduce a given set of classical and asteroseismic constraints. These models are obtained by interpolation on a pre-calculated grid, thereby increasing computational efficiency. We test the accuracy of the different operational modes within AIMS for grids of stellar models computed with the Liège stellar evolution code (main sequence and red giants) and compare the results to those from another asteroseismic analysis pipeline, PARAM. Moreover, using artificial inputs generated from models within the grid (assuming the models to be correct), we focus on the impact on the precision of the code when considering different combinations of observational constraints (individual mode frequencies, period spacings, parallaxes, photospheric constraints,...). Our tests show the absolute limitations of precision on parameter inferences using synthetic data with AIMS, and the consistency of the code with expected parameter uncertainty distributions. Interpolation testing highlights the significance of the underlying physics to the analysis performance of AIMS and provides caution as to the upper limits in parameter step size. All tests demonstrate the flexibility and capability of AIMS as an analysis tool and its potential to perform accurate ensemble analysis with current and future asteroseismic data yields.

astro-ph.SR↗

arXiv2018

Seismic performance

Asteroseismology is a unique tool that can be used to study the interior of stars and hence deliver unique information for the studiy of stellar physics, stellar evolution, and Galactic archaeology. We aim to develop a simple model of the information content of asteroseismology and to characterize the ability and precision with which fundamental properties of stars can be estimated for different space missions. We defined and calibrated metrics of the seismic performance. The metrics, expressed by a seismic index ${\mathcal{E}$ defined by simple scaling relations, are calculated for an ensemble of stars. We studied the relations between the properties of mission observations, fundamental stellar properties, and the performance index. We also defined thresholds for asteroseismic detection and measurement of different stellar properties We find two regimes of asteroseismic performance: the first where the signal strength is dominated by stellar properties and not by observational noise; and the second where observational properties dominate. Typically, for evolved stars, stellar properties provide the dominant terms in estimating the information content, while main sequence stars fall in the regime where the observational properties, especially stellar magnitude, dominate. We estimate scaling relations to predict ${\mathcal{E}$ with an intrinsic scatter of around 21%. Incidentally, the metrics allow us to distinguish stars burning either hydrogen or helium. Our predictions will help identify the nature of the cohort of existing and future asteroseismic observations. In addition, the predicted performance for PLATO will help define optimal observing strategies for defined scientific goals.

astro-ph.SR↗

arXiv2018

The Gaia-ESO survey: impact of extra-mixing on C- and N-abundances of giant stars

The GES survey using FLAMES at the VLT has obtained high-resolution UVES spectra for a large number of giant stars, allowing a determination of the abundances of the key chemical elements C and N at their surface. The surface abundances of these chemical species are well-known to change in stars during their evolution on the red giant branch after the first dredge-up episod, as a result of extra-mixing phenomena. We investigate the effects of thermohaline mixing on C and N abundances using the first comparison between the GES [C/N] determinations with simulations of the observed fields using a model of stellar population synthesis. We explore the effects of thermohaline mixing on the chemical properties of giants through stellar evolutionary models computed with the stellar evolution code STAREVOL. We include these stellar evolution models in the Besançon Galaxy model to simulate the [C/N] distributions determined from the UVES spectra of the GES and compare them with the observations. Theoretical predictions including the effect of thermohaline mixing are in good agreement with the observations. However, the field stars in the GES with C and N-abundance measurements have a metallicity close to solar, where the efficiency of thermohaline mixing is not very large. The C and N abundances derived by the GES in open and globular clusters clearly show the impact of thermohaline mixing at low-metallicity, allowing to explain the [C/N] ratio observed in lower-mass and older giant stars. Using independent observations of carbon isotopic ratio in clump field stars and open clusters, we also confirm that thermohaline mixing should be taken into account to explain the behavior of 12C/13C ratio as a function of stellar age. Overall the current model including thermohaline mixing is able to reproduce very well the C- and N-abundances over the whole metallicity range investigated by the GES data.

astro-ph.SR↗

arXiv2018

Asteroseismology of evolved stars to constrain the internal transport of angular momentum. I. Efficiency of transport during the subgiant phase

Context: The observations of solar-like oscillations in evolved stars have brought important constraints on their internal rotation rates. To correctly reproduce these data, an efficient transport mechanism is needed in addition to meridional circulation and shear instability. Aims: We study the efficiency of the transport of angular momentum during the subgiant phase. Results: The precise asteroseismic measurements of both core and surface rotation rates available for the six Kepler targets enable a precise determination of the efficiency of the transport of angular momentum needed for each of these subgiants. These results are found to be insensitive to all the uncertainties related to the modelling of rotational effects before the post-main sequence phase. An interesting exception in this context is the case of young subgiants (typical values of log(g) close to 4), because their rotational properties are sensitive to the degree of radial differential rotation on the main sequence. These young subgiants constitute therefore perfect targets to constrain the transport of angular momentum on the main sequence from asteroseismic observations of evolved stars. As for red giants, we find that the efficiency of the additional transport process increases with the mass of the star during the subgiant phase. However, the efficiency of this undetermined mechanism decreases with evolution during the subgiant phase, contrary to what is found for red giants. Consequently, a transport process with an efficiency that increases with the degree of radial differential rotation cannot account for the core rotation rates of subgiants, while it correctly reproduces the rotation rates of red giant stars. This suggests that the physical nature of the additional mechanism needed for the internal transport of angular momentum may be different in subgiant and red giant stars.

astro-ph.SR↗

arXiv2018

Combining multiple structural inversions to constrain the Solar modelling problem

The Sun is the most studied of all stars. It is a reference for all other observed stars and a laboratory of fundamental physics helping us understand processes occuring in conditions irreproducible on Earth. However, our understanding of the Sun is currently stained by the solar modelling problem which can stem from various causes, such as the opacities, the equation of state and the mixing of chemical elements. We combine inversions of sound speed, an entropy proxy and the Ledoux discriminant with constraints such as the position of the base of the convective zone and the photospheric helium abundance. We test various combinations of standard ingredients for solar modelling such as abundance tables, equation of state, formalism for convection and diffusion and opacity tables and study the diagnostic potential of the inversions to constrain ad-hoc modifications of the opacity profile and additional mixing below the convective envelope. Combining inversions provides stringent constraints on the modifications on the models, far beyond what is achievable only from sound speed inversions. We constrain the form and amplitude of the opacity increase required and show that a 15% increase at log T=6.35 provides a significant improvement but that a more global increase of the opacity, within the uncertainties of current tables, coupled with an additional mixing at the bottom of the convective zone gives the best agreement for low metallicity models. We show that high metallicity models do not satisfy all the inversion results. We conclude that the solar problem likely occurs from various small sources, as ingredients such as the equation of state or the formalism of convection can induce small but significant changes and that using phase shift analyses combined with our approach is the next step for a better understanding of the inaccuracies of solar models just below the convective envelope.

astro-ph.SR↗

arXiv2018

The blue straggler V106 in NGC6791: A prototype progenitor of old single giants masquerading as young

We determine the properties of the binary star V106 in the old open cluster NGC6791. We identify the system to be a blue straggler cluster member by using a combination of ground-based and Kepler photometry and multi-epoch spectroscopy. The properties of the primary component are found to be $M_{\rm p}\sim1.67 \rm M_{\odot}$, more massive than the cluster turn-off, with $R_{\rm p}\sim1.91 \rm R_{\odot}$ and $T_{\rm eff}=7110\pm100$ K. The secondary component is highly oversized and overluminous for its low mass with $M_{\rm s}\sim0.182 \rm M_{\odot}$, $R_{\rm s}\sim0.864 \rm R_{\odot}$ and $T_{\rm eff}=6875\pm200$ K. We identify this secondary star as a bloated (proto) extremely low-mass helium white dwarf. These properties of V106 suggest that it represents a typical Algol-paradox system and that it evolved through a mass-transfer phase which provides insight into its past evolution. We present a detailed binary stellar evolution model for the formation of V106 using the MESA code and find that the mass-transfer phase only ceased about 40 Myr ago. Due to the short orbital period (P=1.4463 d) another mass-transfer phase is unavoidable once the current primary star evolves towards the red giant phase. We argue that V106 will evolve through a common-envelope phase within the next 100 Myr and merge to become a single over-massive giant. The high mass will make it appear young for its true age, which is revealed by the cluster properties. Therefore, V106 is potentially a prototype progenitor of old field giants masquerading as young.

astro-ph.SR↗

arXiv2018

Mean density inversions for red giants and red clump stars

Since the CoRoT and Kepler missions, the availability of high quality seismic spectra for red giants has made them the standard clocks and rulers for Galactic Archeology. With the expected excellent data from the TESS and PLATO missions, red giants will again play a key role in Galactic studies and stellar physics, thanks to the precise masses and radii determined by asteroseismology. The determination of these quantities is often based on so-called scaling laws, which have been used extensively for main-sequence stars. We show how the SOLA inversion technique can provide robust determinations of the mean density of red giants within 1 per cent of the real value, using only radial oscillations. Combined with radii determinations from Gaia of around 2 per cent precision, this approach provides robust, less model-dependent masses with an error lower than 10 per cent. It will improve age determinations, helping to accurately dissect the Galactic structure and history. We present results on artificial data of standard models, models including an extended atmosphere from averaged 3D simulations and non-adiabatic frequency calculations to test surface effects, and on eclipsing binaries. We show that the inversions provide very robust mean density estimates, using at best seismic information. However, we also show that a distinction between red-giant branch and red-clump stars is required to determine a reliable estimate of the mean density. The stability of the inversion enables an implementation in automated pipelines, making it suitable for large samples of stars.

astro-ph.SR↗

arXiv2018

Establishing the accuracy of asteroseismic mass and radius estimates of giant stars. I. Three eclipsing systems at [Fe/H]~ -0.3 and the need for a large high-precision sample

We aim to establish and improve the accuracy level of asteroseismic estimates of mass, radius, and age of giant stars. This can be achieved by measuring independent, accurate, and precise masses, radii, effective temperatures and metallicities of long period eclipsing binary stars with a red giant component that displays solar-like oscillations. We measured precise properties of the three eclipsing binary systems KIC 7037405, KIC 9540226, and KIC 9970396 and estimated their ages be $5.3\pm0.5$, $3.1\pm0.6$, and $4.8\pm0.5$ Gyr. The measurements of the giant stars were compared to corresponding measurements of mass, radius, and age using asteroseismic scaling relations and grid modeling. We found that asteroseismic scaling relations without corrections to $Δν$ systematically overestimate the masses of the three red giants by 11.7%, 13.7%, and 18.9%, respectively. However, by applying theoretical correction factors $f_{Δν}$ according to Rodrigues et al. (2017), we reached general agreement between dynamical and asteroseismic mass estimates, and no indications of systematic differences at the precision level of the asteroseismic measurements. The larger sample investigated by Gaulme et al. (2016) showed a much more complicated situation, where some stars show agreement between the dynamical and corrected asteroseismic measures while others suggest significant overestimates of the asteroseismic measures. We found no simple explanation for this, but indications of several potential problems, some theoretical, others observational. Therefore, an extension of the present precision study to a larger sample of eclipsing systems is crucial for establishing and improving the accuracy of asteroseismology of giant stars.

astro-ph.SR↗

arXiv2017

NGC 6819: testing the asteroseismic mass scale, mass loss, and evidence for products of non-standard evolution

We present an extensive peakbagging effort on Kepler data of $\sim$50 red giant stars in the open star cluster NGC 6819. By employing sophisticated pre-processing of the time series and Markov Chain Monte Carlo techniques we extracted individual frequencies, heights and linewidths for hundreds of oscillation modes. We show that the "average" asteroseismic parameter $δν_{02}$, derived from these, can be used to distinguish the stellar evolutionary state between the red giant branch (RGB) stars and red clump (RC) stars. Masses and radii are estimated using asteroseismic scaling relations, both empirically corrected to obtain self-consistency as well as agreement with independent measures of distance, and using updated theoretical corrections. Remarkable agreement is found, allowing the evolutionary state of the giants to be determined exclusively from the empirical correction to the scaling relations. We find a mean mass of the RGB stars and RC stars in NGC 6819 to be $1.61\pm0.02\,\textrm{M}_\odot$ and $1.64{\pm}0.02\,\textrm{M}_\odot$, respectively. The difference $ΔM=-0.03\pm0.01\,\textrm{M}_\odot$ is almost insensitive to systematics, suggesting very little RGB mass loss, if any. Stars that are outliers relative to the ensemble reveal overmassive members that likely evolved via mass-transfer in a blue straggler phase. We suggest that KIC 4937011, a low-mass Li-rich giant, is a cluster member in the RC phase that experienced very high mass-loss during its evolution. Such over- and undermassive stars need to be considered when studying field giants, since the true age of such stars cannot be known and there is currently no way to distinguish them from normal stars.

astro-ph.SR↗

arXiv2017

PLATO as it is: a legacy mission for Galactic archaeology

Deciphering the assembly history of the Milky Way is a formidable task, which becomes possible only if one can produce high-resolution chrono-chemo-kinematical maps of the Galaxy. Data from large-scale astrometric and spectroscopic surveys will soon provide us with a well-defined view of the current chemo-kinematical structure of the Milky Way, but will only enable a blurred view on the temporal sequence that led to the present-day Galaxy. As demonstrated by the (ongoing) exploitation of data from the pioneering photometric missions CoRoT, Kepler, and K2, asteroseismology provides the way forward: solar-like oscillating giants are excellent evolutionary clocks thanks to the availability of seismic constraints on their mass and to the tight age-initial-mass relation they adhere to. In this paper we identify five key outstanding questions relating to the formation and evolution of the Milky Way that will need precise and accurate ages for large samples of stars to be addressed, and we identify the requirements in terms of number of targets and the precision on the stellar properties that are needed to tackle such questions. By quantifying the asteroseismic yields expected from PLATO for red-giant stars, we demonstrate that these requirements are within the capabilities of the current instrument design, provided that observations are sufficiently long to identify the evolutionary state and allow robust and precise determination of acoustic-mode frequencies. This will allow us to harvest data of sufficient quality to reach a 10% precision in age. This is a fundamental pre-requisite to then reach the more ambitious goal of a similar level of accuracy, which will only be possible if we have to hand a careful appraisal of systematic uncertainties on age deriving from our limited understanding of stellar physics, a goal which conveniently falls within the main aims of PLATO's core science.

astro-ph.SR↗

arXiv2017

Kepler red-clump stars in the field and in open clusters: constraints on core mixing

Convective mixing in Helium-core-burning (HeCB) stars is one of the outstanding issues in stellar modelling. The precise asteroseismic measurements of gravity-modes period spacing ($ΔΠ_1$) has opened the door to detailed studies of the near-core structure of such stars, which had not been possible before. Here we provide stringent tests of various core-mixing scenarios against the largely unbiased population of red-clump stars belonging to the old open clusters monitored by Kepler, and by coupling the updated precise inference on $ΔΠ_1$ in thousands field stars with spectroscopic constraints. We find that models with moderate overshooting successfully reproduce the range observed of $ΔΠ_1$ in clusters. In particular we show that there is no evidence for the need to extend the size of the adiabatically stratified core, at least at the beginning of the HeCB phase. This conclusion is based primarily on ensemble studies of $ΔΠ_1$ as a function of mass and metallicity. While $ΔΠ_1$ shows no appreciable dependence on the mass, we have found a clear dependence of $ΔΠ_1$ on metallicity, which is also supported by predictions from models.

astro-ph.GA↗

arXiv2016

Red giants observed by CoRoT and APOGEE: The evolution of the Milky Way's radial metallicity gradient

Using combined asteroseismic and spectroscopic observations of 418 red-giant stars close to the Galactic disc plane (6 kpc $<R_{\rm Gal}\lesssim13$ kpc, $|Z_{\rm Gal}|<0.3$ kpc), we measure the age dependence of the radial metallicity distribution in the Milky Way's thin disc over cosmic time. The slope of the radial iron gradient of the young red-giant population ($-0.058\pm0.008$ [stat.] $\pm0.003$ [syst.] dex/kpc) is consistent with recent Cepheid measurements. For stellar populations with ages of $1-4$ Gyr the gradient is slightly steeper, at a value of $-0.066\pm0.007\pm0.002$ dex/kpc, and then flattens again to reach a value of $\sim-0.03$ dex/kpc for stars with ages between 6 and 10 Gyr. Our results are in good agreement with a state-of-the-art chemo-dynamical Milky-Way model in which the evolution of the abundance gradient and its scatter can be entirely explained by a non-varying negative metallicity gradient in the interstellar medium, together with stellar radial heating and migration. We also offer an explanation for why intermediate-age open clusters in the Solar Neighbourhood can be more metal-rich, and why their radial metallicity gradient seems to be much steeper than that of the youngest clusters. Already within 2 Gyr, radial mixing can bring metal-rich clusters from the innermost regions of the disc to Galactocentric radii of 5 to 8 kpc. We suggest that these outward-migrating clusters may be less prone to tidal disruption and therefore steepen the local intermediate-age cluster metallicity gradient. Our scenario also explains why the strong steepening of the local iron gradient with age is not seen in field stars. In the near future, asteroseismic data from the K2 mission will allow for improved statistics and a better coverage of the inner-disc regions, thereby providing tighter constraints on the evolution of the central parts of the Milky Way.

astro-ph.GA↗

arXiv2016

RAVE stars in K2 - I. Improving RAVE red giants spectroscopy using asteroseismology from K2 Campaign 1

We present a set of 87 RAVE stars with detected solar like oscillations, observed during Campaign 1 of the K2 mission (RAVE K2-C1 sample). This dataset provides a useful benchmark for testing the gravities provided in RAVE Data Release 4 (DR4), and is key for the calibration of the RAVE Data Release 5 (DR5). In the present work, we use two different pipelines, GAUFRE (Valentini et al. 2013) and Sp_Ace (Boeche & Grebel 2016), to determine atmospheric parameters and abundances by fixing log(g) to the seismic one. Our strategy ensures highly consistent values among all stellar parameters, leading to more accurate chemical abundances. A comparison of the chemical abundances obtained here with and without the use of seismic log(g) information has shown that an underestimated (overestimated) gravity leads to an underestimated (overestimated) elemental abundance (e.g. [Mg/H] is underestimated by ~0.25 dex when the gravity is underestimated by 0.5 dex). We then perform a comparison between the seismic gravities and the spectroscopic gravities presented in the RAVE DR4 catalogue, extracting a calibration for log(g) of RAVE giants in the colour interval 0.50<(J - Ks)<0.85. Finally, we show a comparison of the distances, temperatures, extinctions (and ages) derived here for our RAVE K2-C1 sample with those derived in RAVE DR4 and DR5.DR5 performs better than DR4 thanks to the seismic calibration, although discrepancies can still be important for objects for which the difference between DR4/DR5 and seismic gravities differ by more than ~0.5 dex. The method illustrated in this work will be used for analysing RAVE targets present in the other K2 campaigns, in the framework of Galactic Archaeology investigations.

astro-ph.GA↗

arXiv2016

Constraining the efficiency of angular momentum transport with asteroseismology of red giants: the effect of stellar mass

Context: Constraints on the internal rotation of red giants are now available thanks to asteroseismic observations. Preliminary comparisons with rotating stellar models indicate that an undetermined additional process for the internal transport of angular momentum is required in addition to purely hydrodynamic processes. Aims: We investigate how asteroseismic measurements of red giants can help us characterize the additional transport mechanism. Methods: We first determine the efficiency of the missing transport mechanism for the low-mass red giant KIC 7341231 by computing rotating models that include an additional viscosity corresponding to this process. We then discuss the change in the efficiency of this transport of angular momentum with the mass, metallicity and evolutionary stage. Results: In the case of the low-mass red giant KIC 7341231, we find that the viscosity corresponding to the additional mechanism is constrained to the range 1 x 10^3 - 1.3 x 10^4 cm^2/s. This constraint on the efficiency of the unknown additional transport mechanism during the post-main sequence is obtained independently of any specific assumption about the modelling of rotational effects during the pre-main sequence and the main sequence (in particular, the braking of the surface by magnetized winds and the efficiency of the internal transport of angular momentum before the post-main-sequence phase). When we assume that the additional transport mechanism is at work during the whole evolution of the star together with a solar-calibrated braking of the surface by magnetized winds, the range of nu_add is reduced to 1 - 4 x 10^3 cm^2/s. In addition to being sensitive to the evolutionary stage of the star, we show that the efficiency of the unknown process for internal transport of angular momentum increases with the stellar mass.

astro-ph.SR↗

arXiv2016

The K2 Galactic Archaeology Program Data Release 1: Asteroseismic results from Campaign 1

NASA's K2 mission is observing tens of thousands of stars along the ecliptic, providing data suitable for large scale asteroseismic analyses to inform galactic archaeology studies. Its first campaign covered a field near the north galactic cap, a region never covered before by large asteroseismic-ensemble investigations, and was therefore of particular interest for exploring this part of our Galaxy. Here we report the asteroseismic analysis of all stars selected by the K2 Galactic Archaeology Program during the mission's "North Galactic Cap" campaign 1. Our consolidated analysis uses six independent methods to measure the global seismic properties, in particular the large frequency separation, and the frequency of maximum power. From the full target sample of 8630 stars we find about 1200 oscillating red giants, a number comparable with estimates from galactic synthesis modeling. Thus, as a valuable by-product we find roughly 7500 stars to be dwarfs, which provide a sample well suited for galactic exoplanet occurrence studies because they originate from our simple and easily reproducible selection function. In addition, to facilitate the full potential of the data set for galactic archaeology we assess the detection completeness of our sample of oscillating red giants. We find the sample is at least near complete for stars with 40 < numax/microHz < 270, and numax_detec < 2.6*1e6 * 2e-Kp microHz. There is a detection bias against helium core burning stars with numax ~ 30 microHz, affecting the number of measurements of DeltaNu and possibly also numax. Although we can detect oscillations down to Kp = 15, our campaign 1 sample lacks enough faint giants to assess the detection completeness for stars fainter than Kp ~ 14.5.

astro-ph.SR↗

arXiv2016

The Radial Velocity Experiment (RAVE): Fifth Data Release

Data Release 5 (DR5) of the Radial Velocity Experiment (RAVE) is the fifth data release from a magnitude-limited (9< I < 12) survey of stars randomly selected in the southern hemisphere. The RAVE medium-resolution spectra ($R\sim7500$) covering the Ca-triplet region (8410-8795Å) span the complete time frame from the start of RAVE observations in 2003 to their completion in 2013. Radial velocities from 520,781 spectra of 457,588 unique stars are presented, of which 255,922 stellar observations have parallaxes and proper motions from the Tycho-Gaia astrometric solution (TGAS) in Gaia DR1. For our main DR5 catalog, stellar parameters (effective temperature, surface gravity, and overall metallicity) are computed using the RAVE DR4 stellar pipeline, but calibrated using recent K2 Campaign 1 seismic gravities and Gaia benchmark stars, as well as results obtained from high-resolution studies. Also included are temperatures from the Infrared Flux Method, and we provide a catalogue of red giant stars in the dereddened color $(J-Ks)_0$ interval (0.50,0.85) for which the gravities were calibrated based only on seismology. Further data products for sub-samples of the RAVE stars include individual abundances for Mg, Al, Si, Ca, Ti, Fe, and Ni, and distances found using isochrones. Each RAVE spectrum is complemented by an error spectrum, which has been used to determine uncertainties on the parameters. The data can be accessed via the RAVE Web site or the Vizier database.

astro-ph.SR↗

arXiv2016

First-principles investigation of the structural, dynamical and dielectric properties of kesterite, stannite and PMCA phases of Cu2ZnSnS4

Cu2ZnSnS4 (CZTS) is a promising material as an absorber in photovoltaic applications. The measured efficiency, however, is far from the theoretically predicted value for the known CZTS phases. To improve the understanding of this discrepancy we investigate the structural, dynamical, and dielectric of the three main phases of CZTS (kesterite, stannite, and PMCA) using density functional perturbation theory (DFPT). The effect of the exchange-correlation functional on the computed properties is analyzed. A qualitative agreement of the theoretical Raman spectrum with measurements is observed. However, none of the phases correspond to the experimental spectrum within the error bar that is usually to be expected for DFPT. This corroborates the need to consider cation disorder and other lattice defects extensively in this material.

cond-mat.mtrl-sci↗