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Density-functional calculations of the phonon spectrum and electron-phonon coupling in MgB$_2$ are presented. The $E_{2g}$ phonons, which involve in-plane B displacements, couple strongly to the $p_{x,y}$ electronic bands. The isotropic…

超导电性 · 物理学 2009-11-07 Amy Y. Liu , I. I. Mazin , Jens Kortus

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

By means of the first-principles density-functional theory calculation and Wannier interpolation, electron-phonon coupling and superconductivity are systematically explored for boron-doped LiBC (i.e. LiB$_{1+x}$C$_{1-x}$), with $x$ between…

超导电性 · 物理学 2018-06-29 Qi-Zhi Li , Xun-Wang Yan , Miao Gao , Jun Wang

We present a first principles investigation of the lattice dynamics and electron-phonon coupling of the superconductor MgB_2 and the isostructural AlB_2 within the framework of density functional perturbation theory using a mixed-basis…

超导电性 · 物理学 2009-11-07 K. -P. Bohnen , R. Heid , B. Renker

The electronic structure of electron-doped polycrystalline Mg$_{1-x}$Al$_{x}$(B$_{1-y}$C$_{y}$)$_2$ was examined by electron energy-loss spectroscopy (EELS) in a scanning transmission electron microscope (STEM) and first-principle…

超导电性 · 物理学 2007-05-23 R. F. Klie , J. C. Zheng , Y. Zhu , A. J. Zambano , L. D. Cooley

Choi et al. [Phys. Rev. B 66, 020513 (2002)] recently presented first principles calculations of the electron-phonon coupling and superconductivity in MgB2, emphasizing the importance of anisotropy and anharmonicity. We point out that (1)…

超导电性 · 物理学 2007-05-23 I. I. Mazin , O. K. Andersen , O. Jepsen , A. A. Golubov , O. V. Dolgov , J. Kortus

We calculate the tunneling density of states (DOS) of MgB2 for different tunneling directions, by directly solving the real-axis, two-band Eliashberg equations (EE). Then we show that the numeric inversion of the standard single-band EE, if…

超导电性 · 物理学 2009-11-10 D. Daghero , R. S. Gonnelli , G. A. Ummarino , O. V. Dolgov , J. Kortus , A. A. Golubov , S. V. Shulga

We analyze superonductivity in MgB$_2$ observed below $T_c=39$ K resulting from electron-phonon coupling involving a mode at $\hbar \omega_1 = 24$ meV and most importantly the in-plane B-B $E_{2g}$ vibration at $\hbar \omega_2=67$ meV. The…

超导电性 · 物理学 2009-11-07 C. Joas , I. Eremin , D. Manske , K. H. Bennemann

We report tunneling measurements of the electron-phonon (e-ph) interaction in superconducting MgB$_2$ using the MgB$_2$-I-Nb junctions, where I stands for insulator. The phonon structure in tunneling density of states in MgB$_2$ clearly…

超导电性 · 物理学 2007-05-23 A. I. D'yachenko , V. Yu. Tarenkov , A. V. Abal'oshev , S. J. Lewandowski

Recent optical studies in c-axis oriented superconducting MgB$_2$ films indicate that the electron-phonon coupling is weak [tu01]. We reinforce this conclusion by examining the raw reflectance data; its frequency dependence is incompatible…

超导电性 · 物理学 2009-11-07 F. Marsiglio

We investigate the dynamical effects of electron-phonon coupling (EPC) on the superconducting properties of two-dimensional (2D) systems, calculating the Eliashberg function in terms of dynamically renormalized phonons. By studying…

超导电性 · 物理学 2025-04-29 Juraj Krsnik , Dino Novko , Osor Slaven Barišić

We present a study of the superconducting transition in MgB2 using the ab-initio pseudopotential density functional method and the fully anisotropic Eliashberg equation. Our study shows that the anisotropic Eliashberg equation, constructed…

超导电性 · 物理学 2009-02-05 Hyoung Joon Choi , David Roundy , Hong Sun , Marvin L. Cohen , Steven G. Louie

We report a detailed first-principles study of the structural, electronic and vibrational properties of the superconducting C$_{32}$ phase of the ternary alloy CaAl$_{2-x}$Si$_x$, both in the experimental range $0.6 \leq x \leq 1.2$, for…

超导电性 · 物理学 2009-11-11 Matteo Giantomassi , Lilia Boeri , Giovanni B. Bachelet

We review the current situation in the theory of superconducting and transport properties of MgB2. First principle calculations of of the electronic structure and electron-phonon coupling are discussed and compared with the experiment. We…

超导电性 · 物理学 2009-11-07 I. I. Mazin , V. P. Antropov

Two simple bounds on the $T_c$ of conventional, phonon-mediated superconductors are derived within the framework of Eliashberg theory in the strong coupling regime. The first bound is set by the total electron-phonon coupling available…

超导电性 · 物理学 2025-10-07 Jonathan E. Moussa , Marvin L. Cohen

We calculate the effect of local magnetic moments on the electron-phonon coupling in BaFe$_{2}$As$_{2}+\delta$ using the density functional perturbation theory. We show that the magnetism enhances the total electron-phonon coupling by $\sim…

超导电性 · 物理学 2010-09-13 Lilia Boeri , Matteo Calandra , Igor I. Mazin , Oleg V. Dolgov , Francesco Mauri

Using full-potential, density-functional-based methods we have studied electron-phonon interaction in ZrB2 and TaB2 in P6/mmm crystal structure. Our results for phonon density of states and Eliashberg function show that the electron-phonon…

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

The two-band/two-gap superconductivity in aluminium and carbon doped MgB$_2$ has been addressed by the point-contact spectroscopy. Two gaps are preserved in all samples with $T_c's$ down to 22 K. The evolution of two gaps as a function of…

超导电性 · 物理学 2015-06-25 P. Szabo , P. Samuely , Z. Hol'anova , S. Bud'ko , P. C. Canfield , J. Marcus

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

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
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