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Electron-hole mixing-induced fine structure in alkaline earth hexaborides leads to lower energy (temperature) scales, and thus stronger tendency toward an excitonic instability, than in their doped counterparts (viz. Ca(1-x)La(x)B(6),…

Strongly Correlated Electrons · Physics 2009-10-31 C. O. Rodriguez , Ruben Weht , W. E. Pickett

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…

Spin-polarized band calculations for supercells of SrB$_{6}$, where a La-, In- or Al- impurity or a vacancy is replacing one Sr, are performed within the local spin density approximation. Moderately large cells with 8 formula units (56…

Materials Science · Physics 2009-11-07 T. Jarlborg

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…

Superconductivity · Physics 2007-05-23 R. F. Klie , J. C. Zheng , Y. Zhu , A. J. Zambano , L. D. Cooley

This short article is a reply to the comment from E.B. Sonin on our paper on the domain structure in a superconducting ferromagnet published in Phys. Rev. Lett..

Superconductivity · Physics 2009-11-11 M. Faure , A. I. Buzdin

The electronic structure of $\beta$-Ti$_{6}$Sn$_{5}$ has been studied based on the density functional theory within the local-density approximation. The calculation indicates that $\beta$-Ti$_{6}$Sn$_{5}$ is very close to ferromagnetic…

Strongly Correlated Electrons · Physics 2009-11-11 T. Jeong

The electronic structure and intrinsic magnetic properties of $\text{Fe}_2\text{AlB}_2$-related compounds and their alloys have been investigated using density functional theory. For $\text{Fe}_2\text{AlB}_2$, the crystallographic $a$ axis…

Materials Science · Physics 2017-03-22 Liqin Ke , Bruce N. Harmon , Matthew J. Kramer

The electronic structure of the heavy fermion compound CeB6 is probed by resonant inelastic soft X-ray scattering using photon energies across the Ce 3d and 4d absorption edges. The hybridization between the localized 4f orbitals and the…

Materials Science · Physics 2012-01-04 M. Magnuson , S. M. Butorin , J. -H. Guo , A. Agui , J. Nordgren , H. Ogasawara , A. Kotani , T. Takahashi , S. Kunii

We investigate the electronic structure of Sr$_2$FeMoO$_6$ combining photoemission spectroscopy with a wide range of photon energies and electronic structure calculations based on first-principle as well as model Hamiltonian approaches to…

Strongly Correlated Electrons · Physics 2007-05-23 Sugata Ray , Priya Mahadevan , Ashwani Kumar , D. D. Sarma , R. Cimino , M. Pedio , L. Ferrari , A. Pesci

We discuss doping dependencies of the electronic structure and Fermi surface of the monolayer Tl$_{2-x}$Cu$_x$Ba$_2$CuO$_{6+\delta}$ (Tl2201). The TlO bands are found to be particularly sensitive to doping in that these bands rapidly move…

Strongly Correlated Electrons · Physics 2009-11-11 S. Sahrakorpi , Hsin Lin , R. S. Markiewicz , A. Bansil

We report first principles LDA calculations of the electronic structure and thermoelectric properties of $\beta $-Zn$_{4}$Sb$_{3}$. The material is found to be a low carrier density metal with a complex Fermi surface topology and…

Materials Science · Physics 2009-10-30 Seong-Gon Kim , I. I. Mazin , D. J. Singh

The electronic structure of layered Sr$_{3}$Ru$_{2}$O$_{7}$ in its orthorhombic structure is investigated using density functional calculations. The band structure near the Fermi energy, consists of Ru $% t_{2g}$ states hybridized with O…

Superconductivity · Physics 2009-10-31 D. J. Singh , I. I. Mazin

Recently published paper [PRL 114, 147701 (2015)] contains several misleading statements and misinterpretations of known facts. The main massage of the paper [PRL 114, 147701 (2015)] is as follows: "We have shown that explicit symmetry…

Optics · Physics 2015-10-28 C. Simovski , A. Miroshnichenko , P. Belov , A. Krasnok

In this work we investigate doping and temperature dependences of electronic structure of system with strong electronic correlations and strong electron-phonon interaction modeling cuprates in the frameworks of the three-band p-d-Holstein…

Strongly Correlated Electrons · Physics 2016-12-09 I. A. Makarov , S. G. Ovchinnikov

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…

Superconductivity · Physics 2016-08-31 H. Uchiyama , K. M. Shen , S. Lee , A. Damascelli , D. H. Lu , D. L. Feng , Z. -X. Shen , S. Tajima

Ge$_{1-x}$Fe$_{x}$ (Ge:Fe) shows ferromagnetic behavior up to a relatively high temperature of 210 K, and hence is a promising material for spintronic applications compatible with Si technology. We have studied its electronic structure by…

Cu$_3$SbSe$_4$ is a promising thermoelectric material due to high thermopower ($>400\ \mu$V/K) at 300K and higher. Although it has a simple crystal structure derived from zinc blende structure, previous work has shown that the physics of…

Materials Science · Physics 2014-09-17 Dat T. Do , S. D. Manhanti

The authors argue that the calculated $^6$He binding energies by the solution of the coupled Yakubovsky integral equation in a partial wave decomposition reported by E. Ahmadi Pouya and A. A. Rajabi [Eur. Phys. J. Plus (2016) 131: 240] are…

Nuclear Theory · Physics 2017-06-13 M. R. Hadizadeh , M. Radin , S. Bayegan

Band calculations for supercells of La$_{(2-x)}$Ba$_x$CuO$_4$ show that the rigid band model for doping is less adequate than what is commonly assumed. In particular, weak ferromagnetism (FM) can appear locally around clusters of high Ba…

Superconductivity · Physics 2008-10-17 B. Barbiellini , T. Jarlborg

We investigate how field-effect doping affects the structural properties, the electronic structure and the Hall coefficient of few-layers transition metal dichalcogenides by using density-functional theory. We consider mono-, bi-, and…

Mesoscale and Nanoscale Physics · Physics 2015-05-05 Thomas Brumme , Matteo Calandra , Francesco Mauri
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