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A. N. Yaresko

Publications and source records attributed to A. N. Yaresko.

At least 37 records · Page 2Linked to original sources
arXiv2012

Electronic band structure and momentum dependence of the superconducting gap in (Ca, Na)Fe2As2 from angle-resolved photoemission spectroscopy

Electronic structure of newly synthesized single crystals of calcium iron arsenide doped with sodium with Tc ranging from 33 to 14 K has been determined by angle-resolved photoemission spectroscopy (ARPES). The measured band dispersion is in general agreement with theoretical calculations, nonetheless implies absence of Fermi surface nesting at antiferromagnetic vector. A clearly developing below Tc strongly band-dependant superconducting gap has been revealed for samples with various doping levels. BCS ratio for optimal doping, $2Δ/k_{\rm B}T_{\rm c}=5.5$, is substantially smaller than the numbers reported for related compounds, implying a non-trivial relation between electronic dispersion and superconducting gap in iron arsenides.

cond-mat.supr-con↗
arXiv2012

Unusual magnetism of layered chromium sulfides MCrS2 (M=Li, Na, K, Ag, and Au)

MCrS2 compounds (M=Li, Na, K, Cu, Ag, and Au) with triangular Cr layers show large variety of magnetic ground states ranging from 120-degree antiferromagnetic order of Cr spins in LiCrS2 to double stripes in AgCrS2, helimagnetic order in NaCrS2, and, finally, ferromagnetic Cr layers in KCrS2. On the base of ab-initio band structure calculations and an analysis of various contributions to exchange interactions between Cr spins we explain this tendency as originating from a competition between antiferromagnetic direct nearest-neighbor d-d exchange and ferromagnetic superexchange via S p states which leads to the change of the sign of the nearest neighbor interaction depending on the radius of a M ion. It is shown that other important interactions are the third-neighbor interaction in a layer and interlayer exchange. We suggest that strong magneto-elastic coupling is most probably responsible for multiferroic properties of at least one material of this family, namely, AgCrS2.

cond-mat.mtrl-sci↗
arXiv2012

Strong pairing at iron $3d_{xz,yz}$ orbitals in hole-doped BaFe$_2$As$_2$

Among numerous hypotheses, recently proposed to explain superconductivity in iron-based superconductors [1-9], many consider Fermi surface (FS) nesting [2, 4, 8, 10] and dimensionality [4, 9] as important contributors. Precise determination of the electronic spectrum and its modification by superconductivity, crucial for further theoretical advance, were hindered by a rich structure of the FS [11-17]. Here, using the angle-resolved photoemission spectroscopy (ARPES) with resolution of all three components of electron momentum and electronic states symmetry, we disentangle the electronic structure of hole-doped BaFe2As2, and show that nesting and dimensionality of FS sheets have no immediate relation to the superconducting pairing. Alternatively a clear correlation between the orbital character of the electronic states and their propensity to superconductivity is observed: the magnitude of the superconducting gap maximizes at 10.5 meV exclusively for iron 3dxz;yz orbitals, while for others drops to 3.5 meV. Presented results reveal similarities of electronic response to superconducting and magneto-structural transitions [18, 19], implying that relation between these two phases is more intimate than just competition for FS, and demonstrate importance of orbital physics in iron superconductors.

cond-mat.supr-con↗
arXiv2012

"Cigar" Fermi surface as a possible requisite for superconductivity in iron-based superconductors

Recently discovered A-Fe-Se (A - alkali metal) materials have questioned the most popular theories of iron-based superconductors because of their unusual electronic structure [1]. Controversial photoemission data taken in the superconducting state [2-7] are in conflict with highly magnetic state seen by neutron-, muSR-spectroscopies and transport/thermodynamic probes [8-10]. These results lead to suggestions to consider all iron-based materials as originating from Mott-insulators or semiconductors, thus once again raising the question of close relation between the cuprates and Fe-based superconductors [e.g. 2]. Here we study electronic and magnetic properties of Rb0.77Fe1.61Se2 (Tc = 32.6 K) in normal and superconducting states by means of photoemission and muSR spectroscopies as well as band structure calculations. We demonstrate that the puzzling behavior of these novel materials is the result of separation into metallic (~12%) and insulating (~ 88%) phases. Only the former becomes superconducting and has a usual electronic structure of electron-doped FeSe-slabs. Our results thus imply that the antiferromagnetic insulating phase is just a byproduct of Rb-intercalation and its magnetic properties have hardly any relation to the superconductivity. Instead, we find that also in this, already third class of iron-based compounds, the key ingredient for superconductivity is a certain proximity of a van Hove singularity to the Fermi level. These findings set the direction for effective search of new superconducting materials.

cond-mat.supr-con↗
arXiv2011

Electronic band structure of ferro-pnictide superconductors from ARPES experiment

ARPES experiments on iron based superconductors show that the differences between the measured and calculated electronic band structures look insignificant but can be crucial for understanding of the mechanism of high temperature superconductivity. Here we focus on those differences for 111 and 122 compounds and discuss the observed correlation of the experimental band structure with the superconductivity.

cond-mat.supr-con↗
arXiv2011

Anisotropic optical response of the mixed-valent Mott-Hubbard insulator NaCu2O2

We report the results of a comprehensive spectroscopic ellipsometry study of NaCu2O2, a compound composed of chains of edge-sharing Cu2+O4 plaquettes and planes of Cu1+ ions in a O-Cu1+-O dumbbell configuration, in the spectral range 0.75-6.5 eV at temperatures 7 -300 K. The spectra of the dielectric function for light polarized parallel to the Cu1+ planes reveal a strong in-plane anisotropy of the interband excitations. Strong and sharp absorption bands peaked at 3.45 eV (3.7 eV) dominate the spectra for polarization along (perpendicular) to the Cu2+O2 chains. They are superimposed on flat and featureless plateaux above the absorption edges at 2.25 eV (2.5 eV). Based on density-functional calculations, the anomalous absorption peaks can be assigned to transitions between bands formed by Cu1+ 3dxz(dyz) and Cu2+ 3dxy orbitals, strongly hybridized with O pstates. The major contribution to the background response comes from transitions between Cu1+ 3dz2 and 4px(py) bands. This assignment accounts for the measured in-plane anisotropy. The dielectric response along the Cu2+O2 chains develops a weak two-peak structure centered at 2.1 and 2.65 eV upon cooling below 100 K, along with the appearance of spin correlations along the Cu2+O2 chains. These features bear a striking resemblance to those observed in the single-valent Cu2+O2 chain compound LiCuVO4, which were identified as an exciton doublet associated with transitions to the upper Hubbard band that emerges as a consequence of the long-range Coulomb interaction between electrons on neighboring Cu2+ sites along the chains. An analysis of the spectral weights of these features yields the parameters characterizing the on-site and long-range Coulomb interactions.

cond-mat.str-el↗
arXiv2011

Optical conductivity of superconducting Rb2Fe4Se5

We report the complex dielectric function of high-quality nearly-stoichiometric Rb2Fe4Se5 (RFS) single crystals with Tc=32 K determined by wide-band spectroscopic ellipsometry and time-domain transmission spectroscopy in the spectral range 1 meV<=$\hbar$ω<=6.5 eV at temperatures 4 K<=T<=300 K. This compound simultaneously displays a superconducting and a semiconducting optical response. It reveals a direct band-gap of 0.45 eV determined by a set of spin-controlled interband transitions. Below 100 K we observe in the lowest THz spectral range a clear metallic response characterized by the negative dielectric permittivity ε1 and bare (unscreened) ωpl=100 meV. At the superconducting transition this metallic response exhibits a signature of a superconducting gap below 8 meV. Our findings suggest a coexistence of superconductivity and magnetism in this compound as two separate phases.

cond-mat.supr-con↗
arXiv2011

Evidence for conventional superconductivity in SrPd2Ge2

Electronic structure of SrPd2Ge2 single crystals is studied by angle-resolved photoemission spectroscopy (ARPES), scanning tunneling spectroscopy (STS) and band-structure calculations within the local-density approximation (LDA). The STS measurements show single s-wave superconducting energy gap Δ(0) = 0.5 meV. Photon-energy dependence of the observed Fermi surface reveals a strongly three-dimensional character of the corresponding electronic bands. By comparing the experimentally measured and calculated Fermi velocities a renormalization factor of 0.95 is obtained, which is much smaller than typical values reported in Fe-based superconductors. We ascribe such an unusually low band renormalization to the different orbital character of the conduction electrons and using ARPES and STS data argue that SrPd2Ge2 is likely to be a conventional superconductor, which makes it clearly distinct from isostructural iron pnictide superconductors of the "122" family.

cond-mat.supr-con↗
arXiv2010

Superconductivity-induced optical anomaly in an iron arsenide

One of the central tenets of conventional theories of superconductivity, including most models proposed for the recently discovered iron-pnictide superconductors, is the notion that only electronic excitations with energies comparable to the superconducting energy gap are affected by the transition. Here we report the results of a comprehensive spectroscopic ellipsometry study of a high-quality crystal of superconducting $\textrm{Ba}_{0.68}\textrm{K}_{0.32}\textrm{Fe}_2\textrm{As}_2$ that challenges this notion. We observe a superconductivity-induced suppression of an absorption band at an energy of $2.5\ \textrm{eV}$, two orders of magnitude above the superconducting gap energy $2Δ\sim 20\ \textrm{meV}$. Based on density-functional calculations, this band can be assigned to transitions from As-p to Fe-d orbitals crossing the Fermi surface. We identify a related effect at the spin-density-wave transition in parent compounds of the 122 family. This suggests that As-p states deep below the Fermi level contribute to the formation of the superconducting and spin-density-wave states in the iron arsenides.

cond-mat.supr-con↗
arXiv2010

Superconductivity without magnetism in LiFeAs

The particular shape of the Fermi surface can give rise to a number of collective quantum phenomena in solids, such as density wave orderings or even superconductivity. In many new iron superconductors this shape, the 'nested' Fermi surface, is indeed observed, but its role in the formation of spin-density waves or superconductivity is not clear. We have studied the electronic structure of the non-magnetic LiFeAs (Tc~18K) superconductor using angle-resolved photoemission spectroscopy. We find a notable absence of the Fermi surface nesting, strong renormalization of the conduction bands by a factor of three, high density of states at the Fermi level caused by a Van Hove singularity, and no evidence for either a static or fluctuating order except superconductivity with in-plane isotropic energy gaps. Our observations set a new hierarchy of the electronic properties necessary for the superconductivity in iron pnictides and, possibly, in other materials.

cond-mat.supr-con↗
arXiv2009

Electronic structure and x-ray magnetic circular dichroism of YBa2Cu3O7/LaMnO3 superlattices from first-principles calculations

The origin of x-ray magnetic circular dichroism (XMCD) at the Cu L2,3 edge in YBa2Cu3O7/La(1-x)Ca(x)MnO3 superlattices is revealed by performing first-principle electronic structure calculation using fully-relativistic spin-polarized linear muffin-tin orbital and projected augmented plane wave methods. We show that the XMCD spectra at the Cu L2,3 edges are proportional to the difference of the densities of majority- and minority-spin Cu 3z2-1 states. Although the Cu 3z2-1 states lie well below the Fermi level, a small number of majority-spin 3z2-1 holes is created by the Cu 3z2-1 - O p_z - Mn 3z2-1 hybridization across the interface. Even this tiny number of holes is sufficient to produce appreciable Cu L2,3 XMCD. The robustness of this conclusion is verified by studying the influence of doping, atomic relaxation, correlation effects, and antiferromagnetic order in a CuO2 plane on the XMCD spectra.

cond-mat.str-el↗
arXiv2009

Two energy gaps and Fermi surface 'arcs' in NbSe2

Using angle-resolved photoemission spectroscopy (ARPES), we report on the direct observation of the energy gap in 2H-NbSe2 caused by the charge-density waves (CDW). The gap opens in the regions of the momentum space connected by the CDW vectors, which implies a nesting mechanism of CDW formation. In remarkable analogy with the pseudogap in cuprates, the detected energy gap also exists in the normal state (T>T0) where it breaks the Fermi surface into 'arcs', it is non-monotonic as a function of temperature with a local minimum at the CDW transition temperature (T0) and it forestalls the superconducting gap by excluding the nested portions of the Fermi surface from participating in superconductivity.

cond-mat.supr-con↗
arXiv2009

Interplay between magnetic properties and Fermi surface nesting in iron pnictides

The wave-vector q and doping (x,y) dependences of the magnetic energy, iron moment, and effective exchange interactions in LaFeAsO{1-x}F{x} and Ba{1-2y}K{2y}Fe2As2 are studied by self-consistent LSDA calculations for co-planar spin spirals. For the undoped compounds (x=0, y=0), the minimum of the calculated total energy, E(q), is for q corresponding to stripe antiferromagnetic order. Already at low levels of electron doping (x), this minimum becomes flat in LaFeAsO{1-x}F{x} and for x>=5, it shifts to an incommensurate q. In Ba{1-2y}K{2y}Fe2As2, stripe order remains stable for hole doping up to y=0.3. These results are explained in terms of the band structure. The magnetic interactions cannot be accurately described by a simple classical Heisenberg model and the effective exchange interactions fitted to E(q) depend strongly on doping. The doping dependence of the E(q) curves is compared with that of the noninteracting magnetic susceptibility for which similar trends are found.

cond-mat.supr-con↗
arXiv2009

Orbital-spin order and the origin of structural distortion in MgTi$_2$O$_4$

We analyze electronic, magnetic, and structural properties of the spinel compound MgTi$_2$O$_4$ using the local density approximation+U method. We show how MgTi$_2$O$_4$ undergoes to a canted orbital-spin ordered state, where charge, spin and orbital degrees of freedom are frozen in a geometrically frustrated network by electron interactions. In our picture orbital order stabilize the magnetic ground state and controls the degree of structural distortions. The latter is dynamically derived from the cubic structure in the correlated LDA+U potential. Our ground-state theory provides a consistent picture for the dimerized phase of MgTi$_2$O$_4$, and might be applicable to frustrated materials in general.

cond-mat.other↗
arXiv2008

(pi,pi)-electronic order in iron arsenide superconductors

The distribution of valence electrons in metals usually follows the symmetry of an ionic lattice. Modulations of this distribution often occur when those electrons are not stable with respect to a new electronic order, such as spin or charge density waves. Electron density waves have been observed in many families of superconductors[1-3], and are often considered to be essential for superconductivity to exist[4]. Recent measurements[5-9] seem to show that the properties of the iron pnictides[10, 11] are in good agreement with band structure calculations that do not include additional ordering, implying no relation between density waves and superconductivity in those materials[12-15]. Here we report that the electronic structure of Ba1-xKxFe2As2 is in sharp disagreement with those band structure calculations[12-15], instead revealing a reconstruction characterized by a (pi,pi) wave vector. This electronic order coexists with superconductivity and persists up to room temperature.

cond-mat.supr-con↗
arXiv2008

GdI_2: A New Ferromagnetic Excitonic Solid?

The two-dimensional, colossal magnetoresistive system GdI_2 develops an unusual metallic state below its ferromagnetic transition and becomes insulating at low temperatures. It is argued that this geometrically frustrated, correlated poor metal is a possible candidate for a ferromagnetic excitonic liquid. The renormalized Fermi surface supports a further breaking of symmetry to a charge ordered, excitonic solid ground state at lower temperatures via order by disorder mechanism. Several experimental predictions are made to investigate this unique orbitally correlated ground state.

cond-mat.str-el↗
arXiv2007

Electronic band structure and exchange coupling constants in ACr2X4 spinels

We present the results of band structure calculations for ACr2X4 (A=Zn, Cd, Hg and X=O, S, Se) spinels. Effective exchange coupling constants between Cr spins are determined by fitting the energy of spin spirals to a classical Heisenberg model. The calculations reproduce the change of the sign of the dominant nearest-neighbor exchange interaction J1 from antiferromagnetic in oxides to ferromagnetic in sulfides and selenides. It is verified that the ferromagnetic contribution to J1 is due to indirect hopping between Cr t2g and eg states via X p states. Antiferromagnetic coupling between 3-rd Cr neighbors is found to be important in all the ACr2X4 spinels studied, whereas other interactions are much weaker. The results are compared to predictions based on the Goodenough-Kanamori rules of superexchange.

cond-mat.other↗