arXiv subjects

M. Schmidt

Publications and source records attributed to M. Schmidt.

At least 145 records · Page 8Linked to original sources

arXiv2010

Electronic and phononic properties of cinnabar: ab initio calculations and some experimental results

We report ab initio calculations of the electronic band structure, the corresponding optical spectra, and the phonon dispersion relations of trigonal alpha-HgS (cinnabar). The calculated dielectric functions are compared with unpublished optical measurements by Zallen and coworkers. The phonon dispersion relations are used to calculate the temperature and isotopic mass dependence of the specific heat which has been compared with experimental data obtained on samples with the natural isotope abundances of the elements Hg and S (natural minerals and vapor phase grown samples) and on samples prepared from isotope enriched elements by vapor phase transport. Comparison of the calculated vibrational frequencies with Raman and ir data is also presented. Contrary to the case of cubic beta-HgS (metacinnabar), the spin-orbit splitting of the top valence bands at the Gamma-point of the Brillouin zone (Delta_0) is positive, because of a smaller admixture of 5d core electrons of Hg. Calculations of the lattice parameters, and the pressure dependence of Delta_0 and the corresponding direct gap E_0~2eV are also presented. The lowest absorption edge is confirmed to be indirect.

cond-mat.mtrl-sci↗

arXiv2010

Herschel/HIFI observations of high-J CO transitions in the protoplanetary nebula CRL618

We performed Herschel/HIFI observations of several CO lines in the far-infrared/sub-mm in the protoplanetary nebula CRL618. The high spectral resolution provided by HIFI allows measurement of the line profiles. Since the dynamics and structure of the nebula is well known from mm-wave interferometric maps, it is possible to identify the contributions of the different nebular components (fast bipolar outflows, double shells, compact slow shell) to the line profiles. The observation of these relatively high-energy transitions allows an accurate study of the excitation conditions in these components, particularly in the warm ones, which cannot be properly studied from the low-energy lines. The 12CO J=16-15, 10-9, and 6-5 lines are easily detected in this source. 13CO J=10-9 and 6-5 are also detected. Wide profiles showing spectacular line wings have been found, particularly in 12CO 16-15. Other lines observed simultaneously with CO are also shown. Our analysis of the CO high-J transitions, when compared with the existing models, confirms the very low expansion velocity of the central, dense component, which probably indicates that the shells ejected during the last AGB phases were driven by radiation pressure under a regime of maximum transfer of momentum. No contribution of the diffuse halo found from mm-wave data is identified in our spectra, because of its low temperature. We find that the fast bipolar outflow is quite hot, much hotter than previously estimated; for instance, gas flowing at 100 km/s must have a temperature higher than ~ 200 K. Probably, this very fast outflow, with a kinematic age < 100 yr, has been accelerated by a shock and has not yet cooled down. The double empty shell found from mm-wave mapping must also be relatively hot, in agreement with the previous estimate.

astro-ph.SR↗

arXiv2010

A HIFI preview of warm molecular gas around chi Cyg : first detection of H2O emission toward an S-type AGB star

A set of new, sensitive, and spectrally resolved, sub-millimeter line observations are used to probe the warm circumstellar gas around the S-type AGB star chi Cyg. The observed lines involve high rotational quantum numbers, which, combined with previously obtained lower-frequency data, make it possible to study in detail the chemical and physical properties of, essentially, the entire circumstellar envelope of chi Cyg. The data were obtained using the HIFI instrument aboard Herschel, whose high spectral resolution provides valuable information about the line profiles. Detailed, non-LTE, radiative transfer modelling, including dust radiative transfer coupled with a dynamical model, has been performed to derive the temperature, density, and velocity structure of the circumstellar envelope. We report the first detection of circumstellar H2O rotational emission lines in an S-star. Using the high-J CO lines to derive the parameters for the circumstellar envelope, we modelled both the ortho- and para-H2O lines. Our modelling results are consistent with the velocity structure expected for a dust-driven wind. The derived total H2O abundance (relative to H2) is (1.1 +/- 0.2)E-5, much lower than that in O-rich stars. The derived ortho-to-para ratio of 2.1 +/- 0.6 is close to the high-temperature equilibrium limit, consistent with H2O being formed in the photosphere.

astro-ph.GA↗

arXiv2010

Herschel/HIFI measurements of the ortho/para ratio in water towards Sagittarius B2(M) and W31C

We present Herschel/HIFI observations of the fundamental rotational transitions of ortho- and para-H$_2^{16}$O and H$_2^{18}$O in absorption towards Sagittarius~B2(M) and W31C. The ortho/para ratio in water in the foreground clouds on the line of sight towards these bright continuum sources is generally consistent with the statistical high-temperature ratio of 3, within the observational uncertainties. However, somewhat unexpectedly, we derive a low ortho/para ratio of $2.35 \pm 0.35$, corresponding to a spin temperature of $\sim$27~K, towards Sagittarius~B2(M) at velocities of the expanding molecular ring. Water molecules in this region appear to have formed with, or relaxed to, an ortho/para ratio close to the value corresponding to the local temperature of the gas and dust.

astro-ph.GA↗

arXiv2010

Discovery of water vapour in the carbon star V Cygni from observations with Herschel/HIFI

We report the discovery of water vapour toward the carbon star V Cygni. We have used Herschel's HIFI instrument, in dual beam switch mode, to observe the 1(11) - 0(00) para-water transition at 1113.3430 GHz in the upper sideband of the Band 4b receiver. The observed spectral line profile is nearly parabolic, but with a slight asymmetry associated with blueshifted absorption, and the integrated antenna temperature is 1.69 \pm 0.17 K km/s. This detection of thermal water vapour emission, carried out as part of a small survey of water in carbon-rich stars, is only the second such detection toward a carbon-rich AGB star, the first having been obtained by the Submillimeter Wave Astronomy Satellite toward IRC+10216. For an assumed ortho-to-para ratio of 3 for water, the observed line intensity implies a water outflow rate ~ (3 - 6) E-5 Earth masses per year and a water abundance relative to H2 of ~ (2-5) E-6. This value is a factor of at least 1E+4 larger than the expected photospheric abundance in a carbon-rich environment, and - as in IRC+10216 - raises the intriguing possibility that the observed water is produced by the vapourisation of orbiting comets or dwarf planets. However, observations of the single line observed to date do not permit us to place strong constraints upon the spatial distribution or origin of the observed water, but future observations of additional transitions will allow us to determine the inner radius of the H2O-emitting zone, and the H2O ortho-to-para ratio, and thereby to place important constraints upon the origin of the observed water emission.

astro-ph.SR↗

arXiv2010

Herschel/HIFI observations of interstellar OH+ and H2O+ towards W49N: a probe of diffuse clouds with a small molecular fraction

We report the detection of absorption by interstellar hydroxyl cations and water cations, along the sight-line to the bright continuum source W49N. We have used Herschel's HIFI instrument, in dual beam switch mode, to observe the 972 GHz N = 1 - 0 transition of OH+ and the 1115 GHz 1(11) - 0(00) transition of ortho-H2O+. The resultant spectra show absorption by ortho-H2O+, and strong absorption by OH+, in foreground material at velocities in the range 0 to 70 km/s with respect to the local standard of rest. The inferred OH+/H2O+ abundance ratio ranges from ~ 3 to ~ 15, implying that the observed OH+ arises in clouds of small molecular fraction, in the 2 - 8% range. This conclusion is confirmed by the distribution of OH+ and H2O+ in Doppler velocity space, which is similar to that of atomic hydrogen, as observed by means of 21 cm absorption measurements, and dissimilar from that typical of other molecular tracers. The observed OH+/H abundance ratio of a few E-8 suggests a cosmic ray ionization rate for atomic hydrogen of (0.6 - 2.4) E-16 s-1, in good agreement with estimates inferred previously for diffuse clouds in the Galactic disk from observations of interstellar H3+ and other species.

astro-ph.GA↗

arXiv2010

Excitation and Abundance of C3 in star forming cores:Herschel/HIFI observations of the sight-lines to W31C and W49N

We present spectrally resolved observations of triatomic carbon (C3) in several ro-vibrational transitions between the vibrational ground state and the low-energy nu2 bending mode at frequencies between 1654-1897 GHz along the sight-lines to the submillimeter continuum sources W31C and W49N, using Herschel's HIFI instrument. We detect C3 in absorption arising from the warm envelope surrounding the hot core, as indicated by the velocity peak position and shape of the line profile. The sensitivity does not allow to detect C3 absorption due to diffuse foreground clouds. From the column densities of the rotational levels in the vibrational ground state probed by the absorption we derive a rotation temperature (T_rot) of ~50--70 K, which is a good measure of the kinetic temperature of the absorbing gas, as radiative transitions within the vibrational ground state are forbidden. It is also in good agreement with the dust temperatures for W31C and W49N. Applying the partition function correction based on the derived T_rot, we get column densities N(C3) ~7-9x10^{14} cm^{-2} and abundance x(C3)~10^{-8} with respect to H2. For W31C, using a radiative transfer model including far-infrared pumping by the dust continuum and a temperature gradient within the source along the line of sight we find that a model with x(C3)=10^{-8}, T_kin=30-50 K, N(C3)=1.5 10^{15} cm^{-2} fits the observations reasonably well and provides parameters in very good agreement with the simple excitation analysis.

astro-ph.GA↗

arXiv2010

Herschel Space Observatory - An ESA facility for far-infrared and submillimetre astronomy

Herschel was launched on 14 May 2009, and is now an operational ESA space observatory offering unprecedented observational capabilities in the far-infrared and submillimetre spectral range 55-671 μm. Herschel carries a 3.5 metre diameter passively cooled Cassegrain telescope, which is the largest of its kind and utilises a novel silicon carbide technology. The science payload comprises three instruments: two direct detection cameras/medium resolution spectrometers, PACS and SPIRE, and a very high-resolution heterodyne spectrometer, HIFI, whose focal plane units are housed inside a superfluid helium cryostat. Herschel is an observatory facility operated in partnership among ESA, the instrument consortia, and NASA. The mission lifetime is determined by the cryostat hold time. Nominally approximately 20,000 hours will be available for astronomy, 32% is guaranteed time and the remainder is open to the worldwide general astronomical community through a standard competitive proposal procedure.

astro-ph.IM↗

arXiv2010

Strong absorption by interstellar hydrogen fluoride: Herschel/HIFI observations of the sight-line to G10.6-0.4 (W31C)

We report the detection of strong absorption by interstellar hydrogen fluoride along the sight-line to the submillimeter continuum source G10.6-0.4 (W31C). We have used Herschel's HIFI instrument, in dual beam switch mode, to observe the 1232.4763 GHz J=1-0 HF transition in the upper sideband of the Band 5a receiver. The resultant spectrum shows weak HF emission from G10.6-0.4 at LSR velocities in the range -10 to -3 km/s, accompanied by strong absorption by foreground material at LSR velocities in the range 15 to 50 km/s. The spectrum is similar to that of the 1113.3430 GHz 1(11)-0(00) transition of para-water, although at some frequencies the HF (hydrogen fluoride) optical depth clearly exceeds that of para-H2O. The optically-thick HF absorption that we have observed places a conservative lower limit of 1.6E+14 cm-2 on the HF column density along the sight-line to G10.6-0.4. Our lower limit on the HF abundance, 6E-9 relative to hydrogen nuclei, implies that hydrogen fluoride accounts for between ~ 30 and 100% of the fluorine nuclei in the gas phase along this sight-line. This observation corroborates theoretical predictions that - because the unique thermochemistry of fluorine permits the exothermic reaction of F atoms with molecular hydrogen - HF will be the dominant reservoir of interstellar fluorine under a wide range of conditions.

astro-ph.GA↗

arXiv2010

Magnetic properties and electronic structures of intermediate valence systems CeRhSi2 and Ce2Rh3Si5

The crystal structures and the physical (magnetic, electrical transport and thermodynamic) properties of the ternary compounds CeRhSi2 and Ce2Rh3Si5 (orthorhombic CeNiSi2- and U2Co3Si5-type structures, respectively) were studied in wide ranges of temperature and magnetic field strength. The results revealed that both materials are valence fluctuating systems, in line with previous literature reports. Direct evidence for valence fluctuations was obtained by means of Ce LIII-edge x-ray absorption spectroscopy and Ce 3d core-level x-ray photoelectron spectroscopy. The experimental data were confronted with the results of ab initio calculations of the electronic band structures in both compounds.

cond-mat.str-el↗

arXiv2009

Electronic structure and magnetic properties of the spin-1/2 Heisenberg system CuSe2O5

A microscopic magnetic model for the spin-1/2 Heisenberg chain compound CuSe2O5 is developed based on the results of a joint experimental and theoretical study. Magnetic susceptibility and specific heat data give evidence for quasi-1D magnetism with leading antiferromagnetic (AFM) couplings and an AFM ordering temperature of 17 K. For microscopic insight, full-potential DFT calculations within the local density approximation (LDA) were performed. Using the resulting band structure, a consistent set of transfer integrals for an effective one-band tight-binding model was obtained. Electronic correlations were treated on a mean-field level starting from LDA (LSDA+U method) and on a model level (Hubbard model). In excellent agreement of experiment and theory, we find that only two couplings in CuSe2O5 are relevant: the nearest-neighbour intra-chain interaction of 165 K and a non-frustrated inter-chain coupling of 20 K. From a comparison with structurally related systems (Sr2Cu(PO4)2, Bi2CuO4), general implications for a magnetic ordering in presence of inter-chain frustration are made.

cond-mat.str-el↗

arXiv2009

An analysis of a spectrum of V838 Monocerotis in October 2005

V838 Mon erupted at the beginning of 2002. Among various scenarios proposed to explain the nature of the outburst, the most promising is a stellar merger event. The results of spectroscopic observations of the object obtained in October 2005 with the Keck/HIRES instrument, presented in detail in Paper I, are analysed and discussed. Our analysis of the molecular bands and the P-Cyg profiles of atomic lines shows that the object loses matter with a velocity of up to 215 km/s and a rate of 10^{-6} - 10^{-5} M_sun/yr. In the profiles of some atomic lines, we have also found evidence of matter infall. A narrow absorption component, which is particularly strong in some P-Cyg profiles, may indicate that a jet-like outflow has also been formed. We show that the observed emission in the [Fe II] lines and an eclipse-like event observed in November/December 2006 was probably caused by interactions of the expanding matter, ejected by V838 Mon in 2002, with radiation from the B3V companion. In particular, the observed profiles of the [Fe II] lines can be easily modelled in this scenario and allow us to estimate parameters of the system, such as the position of the B3V companion relative to V838 Mon and the line of sight, density in the outflowing matter, and mass lost in the 2002 eruption. The observed appearance of strong H-alpha emission, just before and during the eclipse-like event, can be interpreted as a result of the accretion of the outflowing matter onto the B3V companion: the accreted matter, shocked above the stellar surface, can be a source of extreme-UV and soft X-ray radiation capable of ionizing and exciting H in the outflow.

astro-ph.SR↗

arXiv2009

Crystal water induced switching of magnetically active orbitals in CuCl2

The dehydration of CuCl2*2(H2O) to CuCl2 leads to a dramatic change in magnetic behavior and ground state. Combining density functional electronic structure and model calculations with thermodynamical measurements we reveal the microscopic origin of this unexpected incident -- a crystal water driven switching of the magnetically active orbitals. This switching results in a fundamental change of the coupling regime from a three-dimensional antiferromagnet to a quasi one-dimensional behavior. CuCl2 can be well described as a frustrated J1-J2 Heisenberg chain with ferromagnetic exchange J1 and J2/J1 ~ -1.5 for which a helical ground state is predicted.

cond-mat.str-el↗

arXiv2009

Far-infrared optical excitations in multiferroic TbMnO_3

We provide a detailed study of the reflectivity of multiferroic TbMnO_3 for wave numbers from 40 cm^{-1} to 1000 cm^{-1} and temperatures 5 K < T < 300 K. Excitations are studied for polarization directions E || a, the polarization where electromagnons are observed, and for E || c, the direction of the spontaneous polarization in this material. The temperature dependencies of eigenfrequencies, damping constants and polar strengths of all modes are studied and analyzed. For E || a and below the spiral ordering temperature of about 27 K we observe a transfer of optical weight from phonon excitations to electromagnons, which mainly involves low-frequency phonons. For E || c an unusual increase of the total polar strength and hence of the dielectric constant is observed indicating significant transfer of dynamic charge probably within manganese-oxygen bonds on decreasing temperatures.

cond-mat.str-el↗

arXiv2009

Keck/HIRES spectroscopy of V838 Monocerotis in October 2005

V838 Mon erupted at the beginning of 2002 becoming an extremely luminous star. Among various scenarios proposed to explain the nature of the outburst the most promising is a stellar merger event. In this paper we investigate the observational properties of the star and its surroundings in the post outburst phase. We have obtained a high resolution optical spectrum of V838 Mon in October 2005 using the Keck I telescope.We have identified numerous atomic features and molecular bands present in the spectrum and provided an atlas of those features. In order to improve the spectrum interpretation we have performed simple modeling of the molecular bands. Our analysis indicates that the spectrum is dominated by molecular absorption features arising in photospheric regions with temperatures of ~2400 K and in colder outer layers, where the temperature decreases down to ~500 K. A number of resonance lines of neutral alkali metals are observed to show P-Cyg profiles. Particularly interesting are numerous prominent emission lines of [FeII]. All of them show practically the same profile, which can be well described by a Lorentzian profile. In the blue part of the spectrum photospheric signatures of the B-type companion are easily seen. We have fitted the observed spectrum with a synthetic one and the obtained parameters are consistent with the B3V type. We have also estimated radial and rotational velocities of the companion.

astro-ph↗

arXiv2009

Optical properties of ZnCr2Se4 - Spin-phonon coupling and electronic d-d-like excitations

We studied the optical properties of antiferromagnetic ZnCr2Se4 by infrared spectroscopy up to 28,000 cm-1 and for temperatures from 5 to 295 K. At the magnetic phase transition at 21 K, one of the four phonon modes reveals a clear splitting of 3 cm-1 as a result of spin-phonon coupling, the other three optical eigenmodes only show shifts of the eigenfrequencies. The antiferromagnetic ordering and the concomitant splitting of the phonon mode can be suppressed in a magnetic field of 7 T. At higher energies we observed a broad excitation band which is dominated by a two-peak-structure at about 18,000 cm-1 and 22,000 cm-1, respectively. These energies are in good agreement with the expected spin-allowed crystal-field transition of the Cr3+ ions. The unexpected strength of these forbidden onsite d-d transitions is attributed to a considerable hybridization of the selenium p with the chromium d orbitals.

cond-mat.str-el↗

arXiv2009

Skyrmion Lattice in a Doped Semiconductor

We report a comprehensive small angle neutron scattering study (SANS) of the magnetic phase diagram of the doped semiconductor Fe_{1-x}Co_{x}Si for x=0.2 and 0.25. For magnetic field parallel to the neutron beam we observe a six-fold intensity pattern under field-cooling, which identifies the A-phase of Fe_{1-x}Co_{x}Si as a skyrmion lattice. The regime of the skyrmion lattice is highly hysteretic and extents over a wide temperature range, consistent with the site disorder of the Fe and Co atoms. Our study identifies Fe_{1-x}Co_{x}Si is a second material after MnSi in which a skyrmion lattice forms and establishes that skyrmion lattices may also occur in strongly doped semiconductors.

cond-mat.str-el↗

arXiv2008

Intrinsic and extrinsic corrugation of monolayer graphene deposited on SiO2

Using scanning tunneling microscopy (STM) in ultra high vacuum and atomic force microscopy, we investigate the corrugation of graphene flakes deposited by exfoliation on a Si/SiO2 (300 nm) surface. While the corrugation on SiO2 is long-range with a correlation length of about 25 nm, some of the graphene monolayers exhibit an additional corrugation with a preferential wave length of about 15 nm. A detailed analysis shows that the long range corrugation of the substrate is also visible on graphene, but with a reduced amplitude, leading to the conclusion that the graphene is partly freely suspended between hills of the substrate. Thus, the intrinsic rippling observed previously on artificially suspended graphene can exist as well, if graphene is deposited on SiO2.

cond-mat.mtrl-sci↗