Observation of Spin Fluctuations in a High-Tc Parent Compound Using Resonant Inelastic X-ray Scattering

Electronic Evidence of Unusual Magnetic Ordering in a Parent Compound of FeAs-Based Superconductors

High resolution angle-resolved photoemission measurements have been carried out on BaFe2As2, a parent compound of the FeAs-based superconductors. In the magnetic ordering state, there is no gap opening observed on the Fermi surface. Instead, dramatic band structure reorganization occurs across the magnetic transition. The appearance of the singular Fermi spots near (pi,pi) is the most prominent signature of magnetic ordering. These observations provide direct evidence that the magnetic ordering state of BaFe2As2 is distinct from the conventional spin-density-wave state. They reflect the electr…

Dynamically screened Coulomb interaction in the parent compounds of hole-doped cuprates, trends and exceptions

Although the cuprate high-temperature superconductors were discovered already 1986 the origin of the pairing mechanism remains elusive. While the doped compounds are superconducting with high transition temperatures $T_{c}$ the undoped compounds are insulating due to the strong effective Coulomb interaction between the Cu $3d$ holes. We investigate the dependence of the maximum superconducting transition temperature, $T_{c\text{ max}}$, on the onsite effective Coulomb interaction $U$ using the constrained random-phase approximation. We focus on the commonly used one-band model of the cuprates,…

Anisotropy of the Seebeck and Nernst coefficients in parent compounds of the iron-based superconductors

In-plane longitudinal and transverse thermoelectric phenomena in two parent compounds of iron-based superconductors are studied. Namely, the Seebeck (S) and Nernst (n) coefficients were measured in the temperature range 10 - 300 K for BaFe2As2 and CaFe2As2 single crystals that were detwinned in-situ. The thermoelectric response shows sizeable anisotropy in the spin density wave state (SDW) for both compounds, while some dissimilarities in the vicinity of the SDW transition can be attributed to the different nature of the phase change in BaFe2As2 and CaFe2As2. Temperature dependences of S and n…

Fabrication of high-temperature quasi-two-dimensional superconductors at the interface of a ferroelectric Ba$_{0.8}$Sr$_{0.2}$TiO$_{3}$ film and an insulating parent compound of La$_{2}$CuO$_{4}$

We report the first observation of superconductivity in heterostructure consisting of an insulating ferroelectric film (Ba$_{0.8}$Sr$_{0.2}$TiO$_3$) grown on an insulating parent compound of La$_2$CuO$_4$ with [001] orientation. The heterostructure was prepared by magnetron sputtering on a non-atomically-flat surface with inhomogeneities of the order of 1-2 nm. The measured superconducting transition temperature T$_c$ is about 30K. We have shown that superconductivity is confined near the interface region. Application of a weak magnetic field perpendicular to the interface leads to the appeara…

Quasiparticle interference of C2-symmetric surface states in LaOFeAs parent compound

We present scanning tunneling microscopy studies of the LaOFeAs parent compound of iron pnictide superconductors. Topographic imaging reveals two types of atomically flat surfaces, corresponding to the exposed LaO layer and FeAs layer respectively. On one type of surface, we observe strong standing wave patterns induced by quasiparticle interference of two-dimensional surface states. The distribution of scattering wavevectors exhibits pronounced two-fold symmetry, consistent with the nematic electronic structure found in the Ca(Fe1-xCox)2As2 parent state.

SrFeAsF as a parent compound for iron pnictide superconductors

We have successfully synthesized the fluo-arsenide SrFeAsF, a new parent phase with the ZrCuAsSi structure. The temperature dependence of resistivity and dc magnetization both reveal an anomaly at about T_{an} = 173 K, which may correspond to the structural and/or Spin-Density-Wave (SDW) transition. Strong Hall effect and magnetoresistance were observed below T_{an}. Interestingly, the Hall coefficient R_H is positive below T_{an}, which is opposite to the cases in the two parent phases of FeAs-based systems known so far, i.e., LnFeAsO (Ln = rare earth elements) and (Ba, Sr)Fe_2As_2 where the …

Strain induced superconductivity in the parent compound BaFe2As2

The discovery of superconductivity (SC) with a transition temperature, Tc, up to 65K in single-layer FeSe (bulk Tc =8K) films grown on SrTiO3 substrates has attracted special attention to Fe-based thin films. The high Tc is a consequence of the combined effect of electron transfer from the oxygen-vacant substrate to the FeSe thin film and lattice tensile strain. Here we demonstrate the realization of SC in the parent compound BaFe2As2 (no bulk Tc) just by tensile lattice strain without charge doping. We investigate the interplay between strain and SC in epitaxial BaFe2As2 thin films on Fe-buff…

KFe_2Se_2 is the parent compound of K-doped iron selenide superconductors

We elucidate the existing controversies in the newly discovered K-doped iron selenide (KxFe2-ySe2-z) superconductors. The stoichiometric KFe2Se2 with \surd2\times\surd2 charge ordering was identified as the parent compound of KxFe2-ySe2-z superconductor using scanning tunneling microscopy and spectroscopy. The superconductivity is induced in KFe2Se2 by either Se vacancies or interacting with the anti-ferromagnetic K2Fe4Se5 compound. Totally four phases were found to exist in KxFe2-ySe2-z: parent compound KFe2Se2, superconducting KFe2Se2 with \surd2\times\surd5 charge ordering, superconducting …

Momentum-Resolved Electronic Structure of the High-$T_{c}$ Superconductor Parent Compound BaBiO$_{3}$

We investigate the band structure of BaBiO$_{3}$, an insulating parent compound of doped high-$T_{c}$ superconductors, using \emph{in situ} angle-resolved photoemission spectroscopy on thin films. The data compare favorably overall with density functional theory calculations within the local density approximation, demonstrating that electron correlations are weak. The bands exhibit Brillouin zone folding consistent with known BiO$_{6}$ breathing distortions. Though the distortions are often thought to coincide with Bi$^{3+}$/Bi$^{5+}$ charge ordering, core level spectra show that bismuth is mo…

Evidence for Multiple Underlying Fermi Surface and Isotropic Energy Gap in the Cuprate Parent Compound Ca$_2$CuO$_2$Cl$_2$

The parent compounds of the high-temperature cuprate superconductors are Mott insulators. It has been generally agreed that understanding the physics of the doped Mott insulators is essential to understanding the mechanism of high temperature superconductivity. A natural starting point is to elucidate the basic electronic structure of the parent compound. Here we report comprehensive high resolution angle-resolved photoemission measurements on Ca$_2$CuO$_2$Cl$_2$, a Mott insulator and a prototypical parent compound of the cuprates. Multiple underlying Fermi surface sheets are revealed for the …

Thermoelectric properties of iron-based superconductors and parent compounds

Herewith, we review the available experimental data of thermoelectric transport properties of iron-based superconductors and parent compounds. We discuss possible physical mechanisms into play in determining the Seebeck effect, from whence one can extract information about Fermi surface reconstruction and Lifshitz transitions, multiband character, coupling of charge carriers with spin excitations and its relevance in the unconventional superconducting pairing mechanism, nematicity, quantum critical fluctuations close to the optimal doping for superconductivity, correlation. Additional informat…

Multiple-magnon excitations shape the spin spectrum of cuprate parent compounds

Thanks to high resolution and polarization analysis, resonant inelastic x-ray scattering (RIXS) magnetic spectra of La2CuO4, Sr2CuO2Cl2 and CaCuO2 reveal a rich set of properties of the spin 1/2 antiferromagnetic square lattice of cuprates. The leading single-magnon peak energy dispersion is in excellent agreement with the corresponding inelastic neutron scattering measurements. However, the RIXS data unveil an asymmetric lineshape possibly due to odd higher order terms. Moreover, a sharp bimagnon feature emerges from the continuum at (1/2,0), coincident in energy with the bimagnon peak detect…

Pressure decoupled magnetic and structural transitions of the parent compound of iron based 122 superconductors BaFe2As2

The recent discovery of iron ferropnictide superconductors has received intensive concerns on magnetic involved superconductors. Prominent features of ferropnictide superconductors are becoming apparent: the parent compounds exhibit antiferromagnetic (AFM) ordered spin density wave (SDW) state; the magnetic phase transition is always accompanied to a crystal structural transition; superconductivity can be induced by suppressing the SDW phase via either chemical doping or applied external pressure to the parent state. These features generated considerable interests on the interplay between magn…

Magnetic-crystallographic phase diagram of superconducting parent compound Fe$_{1+x}$Te

hrough neutron diffraction experiments, including spin-polarized measurements, we find a collinear incommensurate spin-density wave with propagation vector $ \mathbf k = $ ($0.4481(4) \, \,0 \, \, \frac1 2$) at base temperature in the superconducting parent compound Fe$_{1+x}$Te. This critical concentration of interstitial iron corresponds to $x \approx 12%$ and leads crystallographic phase separation at base temperature. The spin-density wave is short-range ordered with a correlation length of 22(3) Å, and as the ordering temperature is approached its propagation vector decreases linearly in …

Superconductivity in the Iron-Pnictide Parent Compound SrFe2As2

The appearance of superconductivity at ambient pressures in the undoped iron pnictide parent compound SrFe2As2 is studied experimentally using several techniques and approaches to aid in understanding the nature of this phase. Low temperature magnetization measurements of single crystals of SrFe2As2 reveal diamagnetic screening due to the onset of superconductivity below 21 K, with volume fraction estimates varying between 0 and 15 percent. The effects of heat treatment and cold-working via severe mechanical deformation on the superconducting phase found are studied, showing that superconducti…

Mössbauer studies of the peculiar magnetism in parent compounds of the iron-based superconductors

A review of the magnetism in the parent compounds of the iron-based superconductors is given based on the transmission Moessbauer spectroscopy of 57Fe and 151Eu. It was found that the 3d magnetism is of the itinerant character with varying admixture of the spin-polarized covalent bonds. For the 122 compounds a longitudinal spin density wave (SDW) develops. In the case of the EuFe2As2 a divalent europium orders antiferromagnetically at much lower temperature as compared to the onset of SDW. These two magnetic systems remain almost uncoupled one to another. For the non-stoichiometric Fe(1+x)Te p…

Unusual Electronic Structure and Observation of Dispersion Kink in CeFeAsO Parent Compound of FeAs-Based Superconductors

We report the first comprehensive high-resolution angle-resolved photoemission measurements on CeFeAsO, a parent compound of FeAs-based high temperature superconductors with a mangetic/structural transition at $\sim$150 K. In the magnetic ordering state, four hole-like Fermi surface sheets are observed near $Γ$(0,0) and the Fermi surface near M(+/-$π$,+/-$π$) shows a tiny electron-like pocket at M surrounded by four Dirac cone-like strong spots. The unusual Fermi surface topology deviates strongly from the band structure calculations. The electronic signature of the magnetic/structural transit…

Electronic structure of the BaTi$_2$As$_2$O parent compound of the titanium based oxypnictide superconductor

The electronic structure of BaTi2As2O, a parent compound of the newly discovered titanium-based oxypnictide superconductors, is studied by angle-resolved photoemission spectroscopy. The electronic structure shows multi-orbital nature and possible three-dimensional character. An anomalous temperature-dependent spectral weight redistribution and broad lineshape indicate the incoherent nature of the spectral function. At the density-wave-like transition temperature around 200 K, a partial gap opens at the Fermi patches. These findings suggest that BaTi2As2O is likely a charge density wave materia…

Three- to Two-Dimensional Transition of the Electronic Structure in CaFe2As2 - parent compound for an iron arsenic high temperature superconductor

We use angle-resolved photoemission spectroscopy (ARPES) to study the electronic properties of CaFe2As2 - parent compound of a pnictide superconductor. We find that the structural and magnetic transition is accompanied by a three- to two-dimensional (3D-2D) crossover in the electronic structure. Above the transition temperature (Ts) Fermi surfaces around Gamma and X points are cylindrical and quasi-2D. Below Ts the former becomes a 3D ellipsoid, while the latter remains quasi-2D. This finding strongly suggests that low dimensionality plays an important role in understanding the superconducting…

Low ordered magnetic moment by off-diagonal frustration in undoped parent compounds to iron-based high-Tc superconductors

A Heisenberg model over the square lattice recently introduced by Si and Abrahams to describe local-moment magnetism in the new class of Fe-As high-Tc superconductors is analyzed in the classical limit and on a small cluster by exact diagonalization. In the case of spin-1 iron atoms, large enough Heisenberg exchange interactions between neighboring spin-1/2 moments on different iron 3d orbitals that frustrate true magnetic order lead to hidden magnetic order that violates Hund's rule. It accounts for the low ordered magnetic moment observed by elastic neutron diffraction in an undoped parent c…

Magnetic order in BaFe2As2, the parent compound of the FeAs based superconductors in a new structural family

In addition to higher Tc compared with the ubiquitous cuprates for a material composed of a single electronically active layer, the newly discovered LnFeAsO superconductors offer additional compositional variation. In a similar fashion to the CuO2 layers in cuprates, the FeAs layers now dominate the electronic states that produce superconductivity. Cuprate superconductors distinguish themselves structurally by adopting different stacking of the Cu-O and electronically inactive "spacer" layers. Using the same structural philosophy, materials with the formula (A,K)Fe2As2,A=Ba or Sr have been rep…

(Sr_3Sc_2O_5)Fe_2As_2 as a possible parent compound for FeAs-based superconductors

A new compound with the FeAs-layers, namely (Sr_3Sc_2O_5)Fe_2As_2 (abbreviated as FeAs-32522), was successfully fabricated. It has a layered structure with the space group of I4/mmm, and with the lattice constants a = 4.069 $Å$ and c = 26.876 $Å$. The in-plane Fe ions construct a square lattice which is close to that of other FeAs-based superconductors, such as REFeAsO (RE = rare earth elements) and (Ba,Sr)Fe_2As_2. However the inter FeAs-layer spacing in the new compound is greatly enlarged. The temperature dependence of resistivity exhibits a weak upturn in the low temperature region, but a …

Unified phase diagram for iron-based superconductors

High-temperature superconductivity is closely adjacent to a long-range antiferromagnet, which is called a parent compound. In cuprates, all parent compounds are alike and carrier doping leads to superconductivity, so a unified phase diagram can be drawn. However, the properties of parent compounds for iron-based superconductors show significant diversity and both carrier and isovalent dopings can cause superconductivity, which casts doubt on the idea that there exists a unified phase diagram for them. Here we show that the ordered moments in a variety of iron pnictides are inversely proportion…

Quasiparticle interference in antiferromagnetic parent compounds of Fe-based superconductors

Recently reported quasiparticle interference imaging in underdoped Ca(Fe{1-x}Co{x})_2As{2} shows pronounced C{2} asymmetry that is interpreted as an indication of an electronic nematic phase with a unidirectional electron band, dispersive predominantly along the $b$-axis of this orthorhombic material. On the other hand, even more recent transport measurements on untwinned samples show near isotropy of the resistivity in the $ab$ plane, with slightly larger conductivity along a (and not b). We show that in fact both sets of data are consistent with the calculated ab initio Fermi surfaces, which…

Tetragonal-phase SnOFeSe: A possible parent compound of FeSe-based superconductor

Recent experiments have reported that inserting metal atoms or small molecules in between the FeSe layers of $β$-FeSe can significantly enhance the superconducting transition temperature. Here, based on first-principles electronic structure calculations, we propose a stable compound SnOFeSe by alternatively stacking the SnO and $β$-FeSe layers. The predicted SnOFeSe has the same tetragonal structure as the well-known FeAs-based compound LaOFeAs, meanwhile their electronic structures in the nonmagnetic state are quite similar. The magnetic ground state of SnOFeSe is predicted to be the dimer an…

Low-temperature thermal conductivity of BaFe2As2: Parent compound of iron-arsenide superconductors

We report low-temperature thermal conductivity down to 40 mK of the antiferromagnet BaFe$_2$As$_{2}$, which is the parent compound of recently discovered iron-based superconductors. In the investigated temperature range below 4 K, the thermal conductivity $κ$ is well described by the expression $κ$ = $aT$ + $bT^{2.22}$. We attribute the ``$aT$''-term to an electronic contribution which is found to satisfy the Wiedemann-Franz law in the $T$ $\to$ 0 K limit, and the remaining thermal conductivity, $\sim$ $T^{2.22}$, is attributed to phonon conductivity. A small influence on thermal conductivity …

Self-doped Mott insulator for parent compounds of nickelate superconductors

We propose the parent compound of the newly discovered superconducting nickelate Nd$_{1-x}$Sr$_{x}$NiO$_{2}$ as a self-doped Mott insulator, in which the low-density Nd-$5d$ conduction electrons couple to localized Ni-3$% d_{x^{2}-y^{2}}$ electrons to form Kondo spin singlets at low temperatures. This proposal is motivated with our analyses of the reported resistivity and Hall coefficient data in the normal state, showing logarithmic temperature dependence at low temperatures. In the strong Kondo coupling limit, we derive a generalized $t$-$J$ model with both Kondo singlets and nickel holons m…

Phase-sensitive evidence for dx2-y2-pairing symmetry in the parent-structure high-Tc cuprate superconductor Sr1-xLaxCuO2

Even after 25 years of research the pairing mechanism and - at least for electron doped compounds - also the order parameter symmetry of the high transition temperature (high-Tc) cuprate superconductors is still under debate. One of the reasons is the complex crystal structure of most of these materials. An exception are the infinite layer (IL) compounds consisting essentially of CuO2 planes. Unfortunately, these materials are difficult to grow and, thus, there are only few experimental investigations. Recently, we succeeded in depositing high quality films of the electron doped IL compound Sr…

Charge-Stripe Order in a Parent Compound of Iron-based Superconductors

Charge ordering is one of the most intriguing and extensively studied phenomena in correlated electronic materials because of its strong impact on electron transport properties including superconductivity. Despite its ubiquitousness in correlated systems, the occurrence of charge ordering in iron-based superconductors is still unresolved. Here we use scanning tunneling microscopy to reveal a long-range charge-stripe order and a highly anisotropic dispersion of electronic states in the ground state of stoichiometric FeTe, the parent compound of the Fe(Te, Se, S) superconductor family. The forma…

Unusual Fermi surface nesting in parent compounds of iron arsenic high temperature superconductors revealed by Angle Resolved Photoemission Spectroscopy

We use angle resolved photoemission spectroscopy (ARPES) to study the band structure of BaFe2As2 and CaFe2As2, two of the parent compounds of the iron arsenic high temperature superconductors. We find clear evidence for band back folding and hybridization demonstrating that conduction electrons are strongly affected by the emergence of magnetic order. Our high quality data revealed that although the Fermi surface is strongly three-dimensional, it does indeed have long parallel segments along the kz direction that can lead to the emergence of magnetic order. More interestingly, we find very unu…

Disordered Fe vacancies and superconductivity in potassium-intercalated iron selenide (K2-xFe4+ySe5)

The parent compound of an unconventional superconductor must contain unusual correlated electronic and magnetic properties of its own. In the high-Tc potassium intercalated FeSe, there has been significant debate regarding what the exact parent compound is. Our studies unambiguously show that the Fe-vacancy ordered K2Fe4Se5 is the magnetic, Mott insulating parent compound of the superconducting state. Non-superconducting K2Fe4Se5 becomes a superconductor after high temperature annealing, and the overall picture indicates that superconductivity in K2-xFe4+ySe5 originates from the Fe-vacancy ord…

Local atomic configuration control of superconductivity in the undoped pnictide parent compound BaFe2As2

Emergent superconductivity is strongly correlated with the symmetry of local atomic configuration in the parent compounds of iron-based superconductors. While chemical doping or hydrostatic pressure can change the local geometry, these conventional approaches do not provide a clear pathway in tuning the detailed atomic arrangement predictably, due to the parent compounds complicated structural deformation in the presence of the tetragonal-to-orthorhombic phase transition. Here, we demonstrate a systematic approach to manipulate the local structural configurations in BaFe2As2 epitaxial thin fil…

Evidence of Magnetically Driven Structural Phase Transition in Parent Compounds RFeAsO (R = La, Sm, Gd, Tb): study of low-temperature X-ray diffraction

We report measurements of structural phase transition of four parent compounds $R$FeAsO ($R$ = La, Sm, Gd, and Tb) by means of low-temperature X-ray diffraction (XRD). Magnetic transition temperatures associated with Fe ions ($T_{N1}$) are also determined from the temperature dependence of resistivity. As $R$ is changed from La, through Sm and Gd, to Tb, both the c-axis and a-axis lattice constants decrease significantly. Meanwhile both the structural phase transition temperature ($T_S$) and $T_{N1}$ decrease monotonously. It is also found that the temperature gap between $T_S$ and $T_{N1}$ be…

Phonon dynamics in SrFe2As2 and SrFeAsF parent pnictide compounds: How different/similar when compared to Ca- and Ba-compounds?

We report detailed measurements of temperature dependence and ab initio lattice dynamical calculations of the phonon density-of-states of two Sr based iron pnictide parent compounds; SrFe2As2 and SrFeAsF. Although both compounds undergo a magnetic as well as a tetragonal-to-orthorhombic structural phase transitions, no drastic change of their phonon spectra is found in the temperature range from 2 to 300 K.. In both the systems the Fe-As stretching modes at 32 meV react to the temperature change and shift towards higher energies with decreasing temperature. Furthermore, we found that in the an…

Mössbauer study of the '11' iron-based superconductors parent compound Fe(1+x)Te

57Fe Moessbauer spectroscopy was applied to investigate the superconductor parent compound Fe(1+x)Te for x=0.06, 0.10, 0.14, 0.18 within the temperature range 4.2 K - 300 K. A spin density wave (SDW) within the iron atoms occupying regular tetrahedral sites was observed with the square root of the mean square amplitude at 4.2 K varying between 9.7 T and 15.7 T with increasing x. Three additional magnetic spectral components appeared due to the interstitial iron distributed over available sites between the Fe-Te layers. The excess iron showed hyperfine fields at approximately 16 T, 21 T and 49 …

Antiferromagnetic transition in EuFe$_2$As$_2$: A possible parent compound for superconductors

Ternary iron arsenide EuFe$_2$As$_2$ with ThCr$_2$Si$_2$-type structure has been studied by magnetic susceptibility, resistivity, thermopower, Hall and specific heat measurements. The compound undergoes two magnetic phase transitions at about 200 K and 20 K, respectively. The former was found to be accompanied with a slight drop in magnetic susceptibility (after subtracting the Curie-Weiss paramagnetic contribution), a rapid decrease in resistivity, a large jump in thermopower and a sharp peak in specific heat with decreasing temperature, all of which point to a spin-density-wave-like antiferr…

Mössbauer study of Eu0.57Ca0.43Fe2As2 and Eu0.73Ca0.27(Fe0.87Co0.13)2As2: A comparison to 122 iron-based superconductors parent compounds EuFe2As2 and CaFe2As2

57Fe and 151Eu Moessbauer spectra were obtained versus temperature for Eu0.57Ca0.43Fe2As2 compound with 3d and 4f magnetic order and Eu0.73Ca0.27(Fe0.87Co0.13)2As2 re-entrant superconductor, where the finite resistivity reappears while approaching the ground state. They were compared with previously obtained spectra for parent compounds EuFe2As2 and CaFe2As2. It was found that substitution beyond the Fe-As layers does not lead to the rotation (canting) of the Eu2+ magnetic moments and does not generate Eu3+ states. On the other hand, re-entrant superconductor exhibits rotation (canting) of the…

Hydrostatic Pressure Studies on Parent Phase SrFBiS2 of BiS2-based Superconducting Family

In the present work, we measure the temperature dependent electrical resistivity from 300K down to 2K under applied hydrostatic pressure of upto 2.5GPa for SrFBiS2, which is the parent compound for the BiS2 based superconductors. Though the normal state resistivity of the compound decreases with pressure, the same is not superconducting down to 2K under applied pressure of up to 2.5Gpa.

Resonant inelastic X-ray scattering study of spin-wave excitations in the cuprate parent compound Ca$_{2}$CuO$_2$Cl$_2$

By means of resonant inelastic x-ray scattering at the Cu L$_3$ edge, we measured the spin wave dispersion along $\langle$100$\rangle$ and $\langle$110$\rangle$ in the undoped cuprate Ca$_2$CuO$_2$Cl$_2$. The data yields a reliable estimate of the superexchange parameter $J$ = 135 $\pm$ 4 meV using a classical spin-1/2 2D Heisenberg model with nearest-neighbor interactions and including quantum fluctuations. Including further exchange interactions increases the estimate to $J$ = 141 meV. The 40 meV dispersion between the magnetic Brillouin zone boundary points (1/2,\,0) and (1/4,\,1/4) indicat…

Antiphase Fermi-surface modulations accompanying displacement excitation in a parent compound of iron-based superconductors

We investigate the transient electronic structure of BaFe2As2, a parent compound of iron-based superconductors, by time- and angle-resolved photoemission spectroscopy. In order to probe the entire Brillouin zone, we utilize extreme ultraviolet photons and observe photoemission intensity oscillation with the frequency of the A1g phonon which is antiphase between the zone-centered hole Fermi surfaces (FSs) and zone-cornered electron FSs. We attribute the antiphase behavior to the warping in one of the zone-centered hole FSs accompanying the displacement of the pnictogen height, and find that thi…

Nernst effect in single crystals of the pnictide superconductor CaFe1.92Co0.08As2 and parent compound CaFe2As2

We report a combined study of the Nernst coefficient (v), Hall effect and thermoelectric power of CaFe2As2 and CaFe1.92Co0.08As2 single crystals. The absolute value of v in both samples is enhanced, probably due to ambipolar flow of electron- and hole-like quasiparticles. The onset of spin-density-wave order in CaFe2As2 causes further rapid rise of the Nernst coefficient. On the contrary, in the CaFe1.92Co0.08As2 crystal we do not see any feature of v(T), which could be clearly associated with SDW fluctuations. In this Co-doped sample there is also no noticeable increase in of v in the vicinit…

Relationship between the parent charge transfer gap and maximum transition temperature in cuprates

One of the biggest puzzles concerning the cuprate high temperature superconductors is what determines the maximum transition temperature (Tc,max), which varies from less than 30 K to above 130 K in different compounds. Despite this dramatic variation, a robust trend is that within each family, the double-layer compound always has higher Tc,max than the single-layer counterpart. Here we use scanning tunneling microscopy to investigate the electronic structure of four cuprate parent compounds belonging to two different families. We find that within each family, the double layer compound has a mu…

Magnetic order in CaFe1-xCoxAsF (x = 0, 0.06, 0.12) superconductor compounds

A Neutron Powder Diffraction (NPD) experiment has been performed to investigate the structural phase transition and magnetic order in CaFe1-xCoxAsF superconductor compounds (x = 0, 0.06, 0.12). The parent compound CaFeAsF undergoes a tetragonal to orthorhombic phase transition at 134(3) K, while the magnetic order in form of a spin-density wave (SDW) sets in at 114(3) K. The antiferromagnetic structure of the parent compound has been determined with a unique propagation vector k = (1,0,1) and the Fe saturation moment of 0.49(5)uB aligned along the long a-axis. With increasing Co doping, the lo…

Phonon density of states, anharmonicity, electron-phonon coupling and possible multigap superconductivity in the clathrate superconductors Ba8Si46 and Ba24Si100: Why is Tc different in these two compounds?

We report a detailed study of specific heat, electrical resistivity and thermal expansion in combination with inelastic neutron and inelastic X-ray scattering to investigate the origin of superconductivity in the two silicon clathrate superconductors Ba8Si46 and Ba24Si100. Both compounds have a similar structure based on encaged barium atoms in oversized silicon cages. However, the transition temperatures are rather different: 8 K and 1.5 K respectively. By extracting the superconducting properties, phonon density of states, electron-phonon coupling function and phonon anharmonicity from these…

Inelastic Neutron Scattering Studies of the Spin and Lattice Dynamics in Iron Arsenide Compounds

Neutrons have played an important role in advancing our understanding of the pairing mechanism and the symmetry of the superconducting energy gap in the iron arsenide compounds. Neutron measurements of the phonon density-of-state are in good agreement with ab initio calculations, provided the magnetism of the iron atoms is taken into account. However, the predicted superconducting transition temperatures are less than 1 K, making a conventional phononic mechanism for superconductivity highly unlikely. Measurements of the spin dynamics within the spin density wave phase of the parent compounds …

Character of the structural and magnetic phase transitions in the parent and electron doped BaFe2As2 compounds

We present a combined high-resolution x-ray diffraction and x-ray resonant magnetic scattering (XRMS) study of as-grown BaFe2As2. The structural/magnetic transitions must be described as a two-step process. At T_S = 134.5 K we observe the onset of a second-order structural transition from the high-temperature paramagnetic tetragonal structure to a paramagnetic orthorhombic phase, followed by a discontinuous step in the structural order parameter that is coincident with a first-order antiferromagnetic (AFM) transition at T_N = 133.75 K. These data, together with detailed high-resolution x-ray s…

Phonon, Two-Magnon and Electronic Raman Scattering of Fe1+yTe1-xSex

We have measured Raman scattering spectra of single-crystalline FeTe0.6Se0.4 (T_c ~ 14.5 K) and its parent compound Fe1.074Te at various temperatures. In the parent compound Fe1.074Te, A1g and B1g modes have been observed at 157.5 and 202.3 cm-1, respectively, at 5 K. These frequencies qualitatively agree with the calculated results. Two-magnon excitation has been observed around 2300 cm-1 for both compounds. Temperature dependence between the electronic Raman spectra below and above T_c has been observed and 2Δand 2Δ/k_BT_C have been estimated as 5.0 meV and 4.0, respectively.

In-plane electronic anisotropy revealed by interlayer resistivity measurements on the iron-based superconductor parent compound CaFeAsF

Both cuprates and iron-based superconductors demonstrate nematicity, defined as the spontaneous breaking of rotational symmetry in electron systems. The nematic state can play a role in the high-transition-temperature superconductivity of these compounds. However, the microscopic mechanism responsible for the transport anisotropy in iron-based compounds remains debatable. Here, we investigate the electronic anisotropy of CaFeAsF by measuring its interlayer resistivity under magnetic fields with varying field directions. Counterintuitively, the interlayer resistivity was larger in the longitudi…

Cu掺杂磷灰石铅及其母体化合物低能电子结构的有效紧束缚哈密顿量

Effective tight-binding Hamiltonian for the low-energy electronic structure of the Cu-doped lead apatite and the parent compound

本研究通过密度泛函理论与模型哈密顿量分析，构建了LK-99及其母体化合物的有效紧束缚哈密顿量模型，揭示了能带结构演化规律，并探讨了其超导电性可能的机制。

q-Dependence of the giant bond-stretching phonon anomaly in the stripe compound La1.48Nd0.4Sr0.12CuO4 measured by IXS

Inelastic x-ray scattering (IXS) was used to study the Cu-O bond-stretching vibrations in the static stripe phase compound La1.48Nd0.4Sr0.12CuO4. It was found that the intrinsic width in Q-space of the previously reported huge anomalous phonon softening and broadening is approximately 0.08r.l.u HWHM. A detailed comparison was also made to inelastic neutron scattering (INS) studies, which indicate a two-peak lineshape (with superimposed broad and narrow peaks) in the vicinity of the anomaly. The high resolution IXS data show that the narrow peak is mostly an artifact of the poor transverse Q-re…

Magnetism in Fe-based superconductors

In this review, we present a summary of experimental studies of magnetism in Fe-based superconductors. The doping dependent phase diagram shows strong similarities to the generic phase diagram of the cuprates. Parent compounds exhibit magnetic order together with a structural phase transition both of which are progressively suppressed with doping allowing superconductivity to emerge. The stripe-like spin arrangement of Fe moments in the magnetically ordered state shows the identical in-plane structure for the RFeAsO (R=rare earth) and AFe2As2 (A=Sr, Ca, Ba, Eu and K) parent compounds, notably …

Synthesis and structure of SrCo2Si2 and CaRh2Si2 - isoelectronic variants of the parent superconductors AeFe2As2 and study of the influence of the valence electron count in CaFe2-xRhxSi2

The finding of superconductivity in Ba0.6K0.4Fe2As2 put the attention on the investigation of compounds that crystallize with ThCr2Si2 structure type such as AT2X2 (A = alkali/ alkaline earth/ rare earth element; T = transition metal and X = element of the 13-15th group) . In this context the silicides CaFe2Si2, CaFe0.68(6)Rh1.32(6)Si2, CaRh2Si2 and SrCo2Si2 have been synthesized by melting mixtures of the elements in an arc-furnace under an argon atmosphere. Single crystals were obtained by special heat treatment in welded niobium ampoules. The compounds were investigated by means of powder a…

Splitting of resonance excitations in nearly optimally doped Ba(Fe0.94Co0.06)2As2: an inelastic neutron scattering study with polarization analysis

Magnetic excitations in Ba(Fe0.94Co0.06)2As2 are studied by polarized inelastic neutron scattering (INS) above and below the superconducting transition. In the superconducting state we find clear evidence for two resonance-like excitations. At a higher energy of about 8 meV there is an isotropic resonance mode with weak dispersion along the c-direction. In addition we find a lower excitation at 4 meV that appears only in the c-polarized channel and whose intensity strongly varies with the L-component of the scattering vector. These resonance excitations behave remarkably similar to the gap mod…

Resonant Inelastic X-ray Scattering (RIXS) Spectra for Ladder Cuprates

The ladder compound Sr$_{14}$Cu$_{24}$O$_{41}$ is of interest both as a quasi-one-dimensional analog of the superconducting cuprates and as a superconductor in its own right when Sr is substituted by Ca. In order to model resonant inelastic x-ray scattering (RIXS) spectra for this compound, we investigate the simpler SrCu$_{2}$O$_{3}$ system in which the crystal structure contains very similar ladder planes. We approximate the LDA dispersion of SrCu$_{2}$O$_{3}$ by a Cu only two-band tight-binding model. Strong correlation effects are incorporated by assuming an anti-ferromagnetic ground state…