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Electronic structure of single-crystalline Mg(x)Al(1-x)B(2)

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 Added by Stefan Schuppler
 Publication date 2002
  fields Physics
and research's language is English




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Polarization-dependent x-ray absorption spectroscopy at the B 1s edge of single-crystalline Mg(x)Al(1-x)B(2) reveals a strongly anisotropic electronic structure near the Fermi energy. Comparing spectra for superconducting compounds (x=0.9, 1.0) with those for the non-superconductor x=0.0 gives direct evidence on the importance of an in-plane spectral feature crossing E_F for the superconducting properties of the diborides. Good agreement is found with the projected B 2p density of states from LDA band structure calculations.



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158 - P. Postorino 2001
Raman and infrared absorption spectra of Mg(1-x)Al(x)B(2) have been collected for 0<x<0.5 in the spectral range of optical phonons. The x-dependence of the peak frequency, the width and the intensity of the observed Raman lines has been carefully analized. A peculiar x-dependence of the optical modes is pointed out for two different Al doping ranges. In particular the onset of the high-doping structural phase previously observed in diffraction measurements is marked by the appearence of new spectral components at high frequencies. A connection between the whole of our results and the observed suppression of superconductivity in the high doping region is established.
Superconducting MgB$_2$ shows an E$_{2g}$ zone center phonon, as measured by Raman spectroscopy, that is very broad in energy and temperature dependent. The Raman shift and lifetime show large differences with the values elsewhere in the Brillouin Zone measured by Inelastic X-ray Scattering (IXS), where its dispersion can be accounted for by standard harmonic phonon theory, adding only a moderate electron-phonon coupling. Here we show that the effects rapidly disappear when electron-phonon coupling is switched off by Al substitution on the Mg sites. Moreover, using IXS with very high wave-vector resolution in MgB$_2$, we can follow the dispersion connecting the Raman and the IXS signal, in agreement with a theory using only electron-phonon coupling but without strong anharmonic terms. The observation is important in order to understand the effects of electron-phonon coupling on zone center phonons modes in MgB$_2$, but also in all metals characterized by a small Fermi velocity in a particular direction, typical for layered compounds.
The reflectivity $R (omega)$ of $ab$-oriented Mg$_{1-x}$Al$_x$(B$_{1-y }$C$_y$)$_2$ single crystals has been measured by means of infrared microspectroscopy for $1300<omega<17000$ cm$^{-1}$. An increase with doping of the scattering rates in the $pi$ and $sigma$ bands is observed, being more pronounced in the C doped crystals. The $sigma$-band plasma frequency also changes with doping due to the electron doping, while the $pi$-band one is almost unchanged. Moreover, a $sigmatosigma$ interband excitation, predicted by theory, is observed at $omega_{IB} simeq 0.47$ eV in the undoped sample, and shifts to lower energies with doping. By performing theoretical calculation of the doping dependence $omega_{IB}$, the experimental observations can be explained with the increase with electron doping of the Fermi energy of the holes in the $sigma$-band. On the other hand, the $sigma$ band density of states seems not to change substantially. This points towards a $T_c$ reduction driven mainly by disorder, at least for the doping level studied here. The superconducting state has been also probed by infrared synchrotron radiation for $30<omega<150$ cm$^{-1}$ in one pure and one C-doped sample. In the undoped sample ($T_c$ = 38.5 K) a signature of the $pi$-gap only is observed. At $y$ = 0.08 ($T_c$ = 31.9 K), the presence of the contribution of the $sigma$-gap indicates dirty-limit superconductivity in both bands.
108 - M. Merz , F. Eilers , Th. Wolf 2012
The substitutional dependence of valence and spin-state configurations of Sr(Fe$_{1-x}$Co$_x$)$_2$As$_2$ ($x =$ 0, 0.05, 0.11, 0.17, and 0.38) is investigated with near-edge x-ray absorption fine structure at the $L_{2,3}$ edges of Fe, Co, and As. The present data provide direct spectroscopic evidence for an effectively isovalent substitution of Fe$^{2+}$ by Co$^{2+}$, which is in contrast to the widely assumed Co-induced electron-doping effect. Moreover, the data reveal that not only does the Fe valency remain completely unaffected across the entire doping range, but so do the Co and As valencies as well. The data underline a prominent role of the hybridization between (Fe,Co) 3$d_{xy}$, $d_{xz}$, $d_{yz}$ orbitals and As $4s/4p$ states for the band structure in $A$(Fe$_{1-x}$Co$_x$)$_2$As$_2$ and suggest that the covalency of the (Fe,Co)-As bond is a key parameter for the interplay between magnetism and superconductivity.
We have synthesized bulk Mg(B$_{1-x}$C$_x$)$_2$ from a mixture of elemental Mg, B, and the binary compound B$_4$C. Carbon incorporation was dramatically improved by a two step reaction process at an elevated temperature of 1200 $^o$C. This reaction process results in a solubility limit near x$sim$0.07. We found that impurities in the starting B cause an additive suppression of T$_c$. We combine these data with T$_c$ and H$_{c2}$(T=0) data from CVD wires as well as plasma spray synthesized powders and present a unifying H$_{c2}$ and T$_c$ versus x plot.
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