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The electronic structure of CrO_2 is critically discussed in terms of the relation of existing experimental data and well converged LSDA and GGA calculations of the electronic structure and transport properties of this half metal magnet,…

Materials Science · Physics 2009-10-31 I. I. Mazin , D. J. Singh , Claudia Ambrosch-Draxl

The results of the electronic structure calculations performed on SmN by using the LDA+U method with and without including the spin-orbit coupling are presented. Within the LDA+U approach, a N(2$p$) band polarization of $\simeq 0.3\ \mu_B$…

Materials Science · Physics 2015-06-23 C. Morari , F. Beiuşeanu , I. Di Marco , L. Peters , E. Burzo , S Mican , L. Chioncel

The crystal and magnetic structure of La_{1-x}Sr_{1+x}MnO_4 (0<x<0.7) has been studied by diffraction techniques and high resolution capacitance dilatometry. There is no evidence for a structural phase transition like those found in…

Materials Science · Physics 2009-11-10 D. Senff , P. Reutler , M. Braden , O. Friedt , D. Bruns , A. Cousson , F. Bouree , M. Merz , B. Buechner , A. Revcolevschi

The electronic structure of Sr0.35CoO2, structurally analogous to the layered NaxCoO2, has been evaluated using the local spin density approximation (LSDA). We find that evident c-dispersions appear in both the e'g and a1g Co-derived bands,…

Strongly Correlated Electrons · Physics 2007-05-23 R. J. Xiao , H. X. Yang , L. F. Xu , H. R. Zhang , Y. G. Shi , J. Q. Li

We perform transport measurements and band structure calculations of electron-doped LaFeAsO1-xHx over a wide range of x from 0.01 to 0.66. The T^2 and sqrt(T) dependency of the resistivity are observed at x ~ 0.17 and 0.41, respectively.…

Superconductivity · Physics 2016-08-03 Soshi Iimura , Satoru Matsuishi , Hideo Hosono

A resonant inelastic x-ray scattering (RIXS) study of overdamped spin-excitations in slightly underdoped La$_{2-x}$Sr$_{x}$CuO$_4$ (LSCO) with $x=0.12$ and $0.145$ is presented. Three high-symmetry directions have been investigated: (1) the…

We report the results of elastic neutron scattering measurements performed on 1/8-hole doped La$_{1.875}$Ba$_{0.125-x}$Sr$_{x}$CuO$_{4}$ single crystals with {\it x}=0.05, 0.06, 0.075 and 0.085. In the low-temperature less-orthorhombic…

Superconductivity · Physics 2009-11-07 M. Fujita , H. Goka , K. Yamada , M. Matsuda

We have studied in detail the electronic structure of IrO$_2$ including spin-orbit coupling (SOC) and electron-electron interaction, both within the GGA+U and GGA+DMFT approximations. Our calculations reveal that the Ir t$_{2g}$ states at…

Strongly Correlated Electrons · Physics 2014-04-25 S. K. Panda , S. Bhowal , A. Delin , O. Eriksson , I. Dasgupta

A combination of density functional theory in its local density approximation (LDA) with k- and $\omega $ dependent self-energy found from fluctuational-exchange-type random phase approximation (FLEX-RPA) is utilized here to study…

Superconductivity · Physics 2024-03-12 Griffin Heier , Sergey Y. Savrasov

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

A magnetic susceptibility which decreases with decreasing temperature is observed in all $CuO_2$ based superconductors with less than optimal doping. We propose that in $La_{2-x} Sr_x CuO_4$ this is due to antiferromagnetic ordering which…

Condensed Matter · Physics 2009-01-23 A. J. Millis , H. Monien

We elucidate the electronic structure and quantum many-body instabilities of the monolayer nickelate La2NiO4 under hydrostatic pressure using a combination of density functional theory, dynamical mean-field theory (DFT+DMFT), and random…

Strongly Correlated Electrons · Physics 2025-11-20 Shu-Hong Tang , Han-Yu Wang , Da-Yong Liu , Feng Lu , Wei-Hua Wang , H. -Q. Lin , Liang-Jian Zou

In this paper we report the results of the synthesis and structural, transport and magnetic characterization of pure La0.5Sr1.5MnO4 (LSMO) and 5% doped samples, i.e. La0.5Sr1.5Mn0.95B0.05O4, where B = Ru, Co and Ni. It is shown that even a…

Neutron spin resonance, a collective magnetic excitation coupled to superconductivity, is one of the most prominent features shared by a broad family of unconventional superconductors including copper oxides, iron pnictides, and heavy…

Magnetic excitations in the energy range up to 100 meV are studied for over-doped La$_{2-x}$Sr$_{x}$CuO$_{4}$ with $x=0.25$ and 0.30, using time-of-flight neutron spectroscopy. Comparison of spectra integrated over the width of an…

Superconductivity · Physics 2009-11-11 S. Wakimoto , K. Yamada , J. M. Tranquada , C. D. Frost , R. J. Birgeneau , H. Zhang

Doping dependence of the electronic structure of La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) has been systematically studied in a series of photoemission measurements. The unusual spectral features in the underdoped regime are attributed to the…

Superconductivity · Physics 2007-05-23 A. Fujimori , A. Ino , T. Yoshida , T. Mizokawa , Z. -X. Shen , C. Kim , T. Kakeshita , H. Eisaki , S. Uchida

This study presents the effect of local electronic correlations on the Heusler compounds Co$_2$Mn$_{1-x}$Fe$_x$Si as a function of the concentration $x$. The analysis has been performed by means of first-principles band-structure…

Strongly Correlated Electrons · Physics 2009-04-22 S Chadov , G. H. Fecher , C. Felser , J. Minár , J. Braun , H. Ebert

Motivated by the recent experimental discovery of strongly surface-plane-dependent superconductivity at surfaces of KTaO$_3$ single crystals, we calculate the electron-phonon coupling strength, $\lambda$, of doped KTaO$_3$ along the…

Materials Science · Physics 2023-02-21 Tobias Esswein , Nicola A. Spaldin

We have performed x-ray absorption spectroscopy (XAS) and x-ray photoemission spectroscopy (XPS) studies of single crystal Ba_{1-x}K_{x}BiO_{3} (BKBO) covering the whole composition range $0 \leq x \leq 0.60$. Several features in the oxygen…

Superconductivity · Physics 2009-10-31 K. Kobayashi , T. Mizokawa , A. Ino , J. Matsuno , A. Fujimori , H. Samata , A. Mishiro , Y. Nagata , F. M. F. de Groot

The problem of importance of strong correlations for the electronic structure, transport and magnetic properties of half--metallic ferromagnetic CrO_2 is addressed by performing density functional electronic structure calculations in the…

Strongly Correlated Electrons · Physics 2009-11-10 A. Toropova , G. Kotliar , S. Y. Savrasov , V. S. Oudovenko
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