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We report on a band structure calculation and de Haas-van Alphen measurements of KFe$_2$As$_2$. Three cylindrical Fermi surfaces are found. Effective masses of electrons range from 6 to 18$m_e$, $m_e$ being the free electron mass.…

We have performed ab initio LDA calculations of electronic structure of newly discovered prototype high-temperature superconductors AFe_2As_2 (A=Ba,Sr) and compared it with previously calculated electronic spectra of ReOFeAs…

Superconductivity · Physics 2009-11-13 I. A. Nekrasov , Z. V. Pchelkina , M. V. Sadovskii

The electronic structure of the single molecule magnet system M[Fe(L)2]3*4CHCl3 (M=Fe,Cr; L=CH3N(CH2CH2O)2) has been studied using X-ray photoelectron spectroscopy, X-ray absorption spectroscopy, soft X-ray emission spectroscopy, and…

The electronic state in a CoO_2 plane of the layered cobalt oxides Na_{x}CoO_2 is investigated by using the 11 band d-p model on a two-dimensional triangular lattice, where the tight-binding parameters are determined so as to fit the LDA…

Strongly Correlated Electrons · Physics 2008-06-06 Y. Yamakawa , Y. Ono

This work is provoked by recent discovery of new class prototype systems AFFeAs (A=Sr,Ca) of novel layered ironpnictide High-Tc superconductors (Tc=36K). Here we report ab initio LDA results for electronic structure of the AFFeAs systems.…

Superconductivity · Physics 2009-11-13 I. A. Nekrasov , Z. V. Pchelkina , M. V. Sadovskii

We present a symmetry-based calculation of the electronic structure of a compound semiconductor quantum dot (QD) in the sp^3s* tight-binding model including the spin-orbit interaction. The Hamiltonian matrix is diagonalized exactly for CdTe…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 J. Perez-Conde , A. K. Bhattacharjee

The origin of the charge density wave in TaTe$_4$ is discussed on the basis of a first-principles DFT analysis of the Fermi surface, electron-hole response function, phonon band structure of the average structure and structural optimization…

Materials Science · Physics 2022-03-14 Bogdan Guster , Miguel Pruneda , Pablo Ordejón , Enric Canadell

We discuss the interplay between electronic correlations and an underlying superlattice structure in determining the period of charge density waves (CDW's), by considering a one-dimensional Hubbard model with a repeated (non-random) pattern…

Strongly Correlated Electrons · Physics 2009-11-11 Andre L Malvezzi , Thereza Paiva , Raimundo R dos Santos

The magnetic properties in the parent compounds are often intimately related to the microscopic mechanism of superconductivity. Here we report the first direct measurements on the electronic structure of a parent compound of the newly…

Unlike the ferropnictide superconductors, which crystallize in a tetragonal crystal structure, binary FeAs forms in an orthorhombic crystal structure, where the local atomic environment resembles a highly distorted variant of the FeAs4…

Other Condensed Matter · Physics 2015-03-17 J. R. Jeffries , N. P. Butch , H. Cynn , S. R. Saha , K. Kirshenbaum , S. T. Weir , Y. K. Vohra , J. Paglione

We determined the lattice dynamics of metastable, surface-stabilized $\alpha$-phase FeSi$_2$ nanoislands epitaxially grown on the Si(111) surface with average heights and widths ranging from 1.5 to 20 nm and 18 to 72 nm, respectively. The…

Full quantum-mechanical description of electrons moving in 3D structures with unidirectional periodic modulation subject to tilted magnetic fields requires an extensive numerical calculation. To understand magneto-oscillations in such…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 N. A. Goncharuk , L. Smrcka , J. Kucera , K. Vyborny

The interplay between structural phase and electronic correlations has been an intriguing topic of research. An prominent example is the pressure-induced uncollapsed to collapsed tetragonal phase transition observed in CaFe$_2$As$_2$, which…

Strongly Correlated Electrons · Physics 2021-03-17 Jianzhou Zhao , Yilin Wang , Xiaolong Feng , Shengyuan A. Yang

Obtaining the electronic structure of the newly discovered iron-based superconductors is the key to understanding the mechanism of their high-temperature superconductivity. We used angle-resolved photoemission spectroscopy (ARPES) to make…

The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe(Se,Te) have closely related electronic structures. The Fermi surface consists of…

Superconductivity · Physics 2015-05-13 D. J. Singh , M. H. Du , L. Zhang , A. Subedi , J. An

Photoemission spectroscopy is used to investigate the electronic structure of the newly discovered iron-based superconductors LaFeAsO_{1-x}F_x and LaFePO_{1-x}F_x. Line shapes of the Fe 2p core-level spectra suggest an itinerant character…

Using \emph{ab initio} band structure and DFT+dynamical mean-field theory methods we examine the effects of electron-electron interactions on the normal state electronic structure, Fermi surface, and magnetic correlations of the recently…

Strongly Correlated Electrons · Physics 2023-09-07 D. A. Shilenko , I. V. Leonov

Most recent observation of topological Fermi arcs on the surface of manyfold degenerate B20 systems, CoSi and RhSi, have attracted enormous research interests. Although an another isostructural system, FeSi, has been predicted to show bulk…

The electronic structure of single crystals Na$_{0.6}$CoO$_2$, which are closely related to the superconducting Na$_{0.3}$CoO$_2$.$y$H$_2$O ($T_c \sim 5K$), is studied by angle-resolved photoelectron spectroscopy. While the measured Fermi…

The electronic structures of the Heusler type compounds Fe$_{3-x}V$_x$Si in the concentration range between x = 0 and x = 1 have been probed by photoemission spectroscopy (PES). The observed shift of Si 2p core- level and the main valence…