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The discovery of the first high critical temperature (Tc) transition metal diboride superconductor, MgB2 structure alpha-MoB2 under pressure with Tc up to 32 K at 100 GPa, provides new input into some unexplained aspects of electron-phonon…

Superconductivity · Physics 2021-12-22 Yundi Quan , Kwan-woo Lee , Warren E. Pickett

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…

Superconductivity · Physics 2009-02-05 Hyoung Joon Choi , David Roundy , Hong Sun , Marvin L. Cohen , Steven G. Louie

Despite the intensive efforts for determining the mechanism that causes high-temperature superconductivity in copper oxide materials, no consensus on the pairing mechanism has been reached. Recent advances in high resolution angle-resolved…

Superconductivity · Physics 2011-02-18 H. S. Ruiz , A. Badía-Majós

By means of density functional theory the electronic structure of the MgB2 superconductor was characterised and compared with that of the related iso-structural systems: AlB2, ZrB2, NbB2, and TaB2. Using the full-potential linearized…

Superconductivity · Physics 2009-11-07 Pablo de la Mora , Miguel Castro , Gustavo Tavizon

A model with Holstein-like electron-phonon coupling is studied in the limit of adiabatic phonons. The phonon distribution is anharmonic with two degenerate maxima. This model can be related to fermions in a correlated binary alloy and…

Strongly Correlated Electrons · Physics 2007-05-23 K. Ziegler , D. Schneider

The Fe pnictide parent compound EuFe2As2 exhibits a strongly momentum dependent carrier dynamics around the hole pocket at the center of the Brillouin zone. The very different dynamics of electrons and holes cannot be explained solely by…

We measure phonon dispersion and linewidth in a single crystal of MgB_2 along the Gamma-A, Gamma-M and A-L directions using inelastic X-Ray scattering. We use Density Functional Theory to compute the effect of both electron-phonon coupling…

In this paper, we investigate the electronic band structure, lattice dynamics and electron-phonon interaction in $\delta$-NbN, $\varepsilon$-NbN and WC-NbN by performing systematic ab initio calculations based on DFT-GGA. The calculated…

Superconductivity · Physics 2019-03-27 K. Ramesh Babu , Guang-Yu Guo

For the 40K-superconductor MgB2 we have calculated the electronic and phononic structures and the electron-phonon interaction throughout the Brillouin zone ab initio. In contrast to the isoelectronic graphite, MgB2 has holes in the bonding…

Superconductivity · Physics 2009-11-07 Y. Kong , O. V. Dolgov , O. Jepsen , O. K. Andersen

Based on electronic structure calculations, we have found that noble metal diborides, AgB2 and AuB2, are potential candidates for conventional BCS-type high temperature superconductors. B 2p density of states dominates at the Fermi level in…

Superconductivity · Physics 2007-05-23 S. K. Kwon , S. J. Youn , K. S. Kim , B. I. Min

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…

The strong coupling between lattice modes and charges which leads to the formation of charge density waves in materials such as the transition-metal dichalcogenides may also give rise to superconductivity in the same materials, mediated by…

Superconductivity · Physics 2015-06-29 Jasper van Wezel , Paul Nahai-Williamson , Siddarth S. Saxena

The electronic structure, lattice dynamics, and electron-phonon coupling of the boron-doped diamond are investigated using the density functional supercell method. Our results indicate the boron-doped diamond is a phonon mediated…

Superconductivity · Physics 2007-05-23 H. J. Xiang , Zhenyu Li , Jinlong Yang , J. G. Hou , Qingshi Zhu

We theoretically investigate the electric field-tuning plasmons and plasmon-phonon couplings of two-dimensional (2D) transition metal dichalcogenides (TMDs), such as monolayer MoS2, under the consideration of spin-orbit coupling. It is…

Materials Science · Physics 2025-03-25 Chengxiang Zhao , Wenjun Zhang , Haotong Wang , Fangwei Han , and Haiming Dong

I present the results of first principles calculations of the phonon dispersions and electron-phonon coupling for BaTi$_2$Sb$_2$O. The phonon dispersions show a weak lattice instability near the zone corners that leads to a charge-density…

Superconductivity · Physics 2013-02-18 Alaska Subedi

Phonon properties of $\mathrm{Mo_3Sb_{7-x}Te_x}$ ($x=0,1.5, 1.7$), a potential high-temperature thermoelectric material, have been studied with inelastic neutron and x-ray scattering, and with first-principles simulations. The substitution…

Materials Science · Physics 2015-12-11 Dipanshu Bansal , Chen W. Li , Ayman H. Said , Douglas L. Abernathy , Jiaqiang Yan , Olivier Delaire

We report a detailed study of specific heat, electrical resistivity and optical spectroscopy in the superconducting boride LuB12 (Tc = 0.4 K) and compare it to the higher Tc compound ZrB12 (Tc = 6 K). Both compounds have the same structure…

Superconductivity · Physics 2009-11-13 J. Teyssier , R. Lortz , A. Petrovic , D. van der Marel , V. Filippov , N. Shitsevalova

The spectra of the second derivative of tunneling current d^{2}I/dV^{2} in the high-temperature superconductors YBa_{2}Cu_{3}O_{7-\delta} and Bi_{2}Sr_{2}CaCu_{2}O_{8+\delta} show clear dip and peak features due to strong coupling to the…

Superconductivity · Physics 2009-11-11 Guo-meng Zhao

We report measurements of the superconducting critical temperature Tc of polycrystalline MgB2 samples containing isotopically pure (10)B and (11)B under quasi-hydrostatic pressure conditions in He pressure media up to 44 GPa. Measurements…

Superconductivity · Physics 2007-05-23 V. V. Struzhkin , A. F. Goncharov , R. J. Hemley , H. K. Mao , G. Lapertot , S. L. Bud'ko , P. C. Canfield

We report first-principles calculations of the electronic band structure and lattice dynamics for the new superconductor MgB$_{2}$. The excellent agreement between theory and our inelastic neutron scattering measurements of the phonon…