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We have studied the structural and electronic properties of Mg(1-x)Al(x)B2 within the Virtual Crystal Approximation (VCA) by means of first-principles total-energy calculations. Results for the lattice parameters, the electronic band…

超导电性 · 物理学 2009-11-07 O. de la Pena , A. Aguayo , R. de Coss

Electron energy-loss spectroscopy (EELS) was combined with heat capacity measurements to follow the change of superconductivity with systematic Al doping of MgB$_2$. By using x-ray diffraction and Vegard's law to assess the actual Al…

超导电性 · 物理学 2009-11-11 L. D. Cooley , A. J. Zambano , A. R. Moodenbaugh , R. F. Klie , Jin-Cheng Zheng , Yimei Zhu

We have studied the changes in the electronic structure and the superconducting transition temperature T_c of Mg(B_{1-x}C_{x})_{2} alloys as a function of x with 0\leq x\leq 0.3. Our density-functional-based approach uses coherent-potential…

超导电性 · 物理学 2009-11-10 Prabhakar P. Singh

The effect of electron correlation (EC) on the electronic structure in MgB$_2$, AlB$_2$ and ZrB$_2$, is studied by examining the partial density of states (PDOS) of B-2$p\sigma$ and $p\pi$ orbitals using the polarization dependence of x-ray…

Heavy carbon doping of MgB$_2$ is studied by first principles electronic structure studies of two types, an ordered supercell (Mg(B$_{1-x}$C$_{x}$)$_{2}$,x=0.0833) and also the coherent potential approximation method that incorporates…

超导电性 · 物理学 2007-05-23 Deepa Kasinathan , K. -W. Lee , W. E. Pickett

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,…

We have studied the electron-phonon and superconducting properties of the Mg{1-x}AlxB2 and MgB{2(1-y)}C{2y} alloys within the framework of density functional theory using the self-consistent virtual-crystal approximation. For both alloys,…

超导电性 · 物理学 2010-12-16 O. De la Peña-Seaman , R. de Coss , R. Heid , K. -P. Bohnen

We argue, based on band structure calculations and Eliashberg theory, that the observed decrease of $T_c$ of Al and C doped MgB$_2$ samples can be understood mainly in terms of a band filling effect due to the electron doping by Al and C. A…

超导电性 · 物理学 2007-05-23 Jens Kortus , Oleg V. Dolgov , Reinhard K. Kremer , Alexander A. Golubov

We have investigated the electronic structure of electron-doped Sr$_{2-x}$La$_x$FeMoO$_6$ ($x$=0.0 and 0.2) by photoemission spectroscopy and band-structure calculations within the local-density approximation+$U$ (LDA+$U$) scheme. A…

强关联电子 · 物理学 2007-05-23 T. Saitoh , M. Nakatake , H. Nakajima , O. Morimoto , A. Kakizaki , Sh. Xu , Y. Moritomo , N. Hamada , Y. Aiura

X-ray diffraction multipole refinements of single-crystalline Mg$_x$Al$_{1-x}$B$_2$ and polarization-dependent near-edge x-ray absorption fine structure at the B 1$s$ edge reveal a strongly anisotropic electronic structure. Comparing the…

超导电性 · 物理学 2016-04-01 M. Merz , P. Schweiss , Th. Wolf , H. v. Löhneysen , S. Schuppler

Electronic structure calculations indicate that the Sr2FeSbO6 double perovskite has a flat-band set just above the Fermi level that includes contributions from ordinary sub-bands with weak kinetic electron hopping plus a flat sub-band that…

Electronic structure of newly synthesized single crystals of calcium iron arsenide doped with sodium with Tc ranging from 33 to 14 K has been determined by angle-resolved photoemission spectroscopy (ARPES). The measured band dispersion is…

In a recent Physical Review Letter Kortus et al. claim that the observed decrease of $T_c$ in Al and C doped MgB$_2$ samples is mainly due to the band filling by the electron doping but for a fuller understanding of the different behavior…

超导电性 · 物理学 2009-01-08 P. Samuely , P. Szabo , P. C. Canfield , S. L. Bud'ko

In this work the effect of Carbon and Aluminium doping on the multiband MgB2 superconductor is analyzed. Using the rigid band and virtual crystal approximations (RBA and VCA), it was found that the main effect of doping on the band…

超导电性 · 物理学 2007-05-23 Sabina Ruiz-Chavarria , Gustavo Tavizon , Pablo de la Mora

We address the effect of band filling on the effective electron mass $m^*$ and the superconducting critical temperature $T_c$ in a electron-phonon system. We compare the vertex corrected theory with the non-crossing approximation of the…

超导电性 · 物理学 2009-11-10 E. Cappelluti , S. Ciuchi , C. Grimaldi , L. Pietronero

Using angle-resolved photoemission spectroscopy, we studied the electronic structure of NaFe$_{1-x}$Co$_x$As from an optimally doped superconducting compound ($x=0.028$) to a heavily overdoped non-superconducting one ($x=0.109$). Similar to…

超导电性 · 物理学 2012-06-21 S. T. Cui , S. Y. Zhu , A. F. Wang , S. Kong , S. L. Ju , X. G. Luo , X. H. Chen , G. B. Zhang , Z. Sun

The first angle-resolved photoemission spectroscopy results from MgB$_2$ single crystals are reported. Close to the $\Gamma$K and $\Gamma$M directions, three distinct dispersions are observed approaching the Fermi energy, as can be assigned…

超导电性 · 物理学 2016-08-31 H. Uchiyama , K. M. Shen , S. Lee , A. Damascelli , D. H. Lu , D. L. Feng , Z. -X. Shen , S. Tajima

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…

超导电性 · 物理学 2009-11-11 D. Di Castro , M. Ortolani , E. Cappelluti , U. Schade , N. D. Zhigadlo , J. Karpinski

Using angle-resolved photoemission spectroscopy (ARPES), we studied the evolution of the electronic structure of Fe1-xCuxSe from x = 0 to 0.10. We found that the Cu dopant introduces extra electron carriers. The hole bands near the gamma…

The superconducting and structural properties of a series of Mg1-xAlxB2 samples have been investigated. X-ray diffraction results confirmed the existence of a structural transition associated with the significant change in inter-boron layer…

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