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 long range antiferromagnetic order has been observed to coexist with superconductivity in the orthorhombic phase of the underdoped CaFe0.94Co0.06AsF with a reduced Fe moment (0.15(5)uB). Magnetic order is completely suppressed in optimally doped CaFe0.88Co0.12AsF. We argue that the coexistence of SDW and superconductivity might be related to mesoscopic phase separation.
The 1111-type iron arsenide hydride CaFe1-xCoxAsH was synthesized by high-pressure solid-state reaction, and its electronic structure and superconducting properties were investigated. Bulk superconductivity was observed at x = 0.07-0.26. A maximum superconducting critical temperature Tcmax of 23 K was observed at x = 0.07. These values are in agreement with those of CaFe1-xCoxAsF. The calculated Fermi surface of CaFeAsH has a small three-dimensional 3D hole pocket around the Gamma point. This is a result of weak covalent bonding between the As 4p and H 1s orbitals. No such covalency exists in …
Since the discovery of superconductivity in a high-entropy alloy (HEA) Ti-Zr-Nb-Hf-Ta in 2014, the community of superconductor science has explored new HEA superconductors to find the merit of the HEA states on superconducting properties. Since 2018, we have developed HEA-type compounds as superconductors or thermoelectric materials. As well known, compounds like intermetallic compounds or layered compounds are composed of multi crystallographic sites. In a HEA-type compounds, one or more sites are alloyed and total mixing entropy satisfies with the criterion of HEA. Herein, we summarize the s…
We propose two possible new compounds, Ba$_2$CuO$_2$Fe$_2$As$_2$ and K$_2$CuO$_2$Fe$_2$Se$_2$, which hybridize the building blocks of two high temperature superconductors, cuprates and iron-based superconductors. These compounds consist of square CuO$_2$ layers and antifluorite-type Fe$_2$X$_2$ (X=As,Se) layers separated by Ba/K. The calculations of binding energies and phonon spectrums indicate that they are dynamically stable, which ensures that they may be experimentally synthesized. The Fermi surfaces and electronic structures of the two compounds inherit the characteristics of both cuprat…
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…
Electronic structures of a superconductor without inversion symmetry, LaPdSi3, and its non-superconducting counterpart, LaPdGe3, have been calculated employing the full-potential local-orbital method within the density functional theory. The investigations were focused on analyses of densities of states at the Fermi level in comparison with previous experimental heat capacity data and an influence of the antisymmetric spin-orbit coupling on the band structures and Fermi surfaces (FSs) being very similar for both considered here compounds. Their FSs sheets originate from four bands and have a h…
Since its discovery more than a century ago, superconductivity has been at the epicentre of condensed matter physics research. The electron phonon coupling in conventional superconductors, which obeys BCS theory, causes an attractive interaction, resulting in a unique isotropic and fixed sign pairing symmetry ground state. Exotic pairing symmetries are hard to come by in this favourable interaction. While unconventional superconductivity is still a mystery, the potential for novel and exotic coupling symmetries due to the interplay of structural symmetries and Fermi surface (FS) topology makes…
The impurity-induced quasiparticle interference(QPI) in the parent compounds of iron-pnictide superconductors is investigated based on a phenomenological two-orbital four-band model and T-matrix method. We find the QPI is sensitive to the value of the magnetic order which may vary from one compound to another. For small value of the magnetic order, the pattern of oscillation in the local density of states (LDOS) induced by the QPI exhibits two-dimensional characteristics, consistent with the standing wave state observed in the 1111 compound. For larger value of the magnetic order, the main fea…
The puzzling nature of magnetic and lattice phase transitions of iron pnictides is investigated via a first-principles Wannier function analysis of representative parent compound LaOFeAs. A rare ferro-orbital ordering is found to give rise to the recently observed highly anisotropic magnetic coupling, and drive the phase transitions--without resorting to widely employed frustration or nesting picture. The revealed necessity of the additional orbital physics leads to a correlated electronic structure fundamentally distinct from that of the cuprates. In particular, the strong coupling to the mag…
EXAFS studies at the As K edge as a function of temperature have been carried out in SmFeAsO$_{1-x}$F$_x$ ($x$ = 0 and 0.2) compounds to understand the role of local structural distortions superconductivity observed in F doped compound. A significant correlation between thermal variation of local structural parameters like anion height and superconducting onset is found in the fluorinated compound. Such a variation in anion height is absent in non-superconducting compound. Increase in Fe-As bond distance just below superconducting onset temperature indicates a similarity in distortions observe…
Band structures of the pressure-induced, heavy-fermion superconductor Ce2Ni3Ge5 and its non-superconducting, mixed-valence isostructural (Ibam) counterpart Ce2Ni3Si5 have been calculated employing the full-potential local-orbital code. Both the local density approximation (LDA) and LDA+U approaches were applied. These investigations were focused particularly on the topology of the Fermi surfaces (FSs) of the compounds. The results show that the FSs are quite similar in these systems and exist in four bands, containing three-dimensional holelike and electronlike sheets. However, the specific FS…
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…
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…
Electronic structure of a newly discovered antiperovskite superconductor MgCNi$_3$ is investigated by using the LMTO band method. The main contribution to the density of states (DOS) at the Fermi energy $E_{\rm F}$ comes from Ni 3$d$ states which are hybridized with C 2$p$ states. The DOS at $E_{\rm F}$ is varied substantially by the hole or electron doping due to the very high and narrow DOS peak located just below $E_{\rm F}$. We have also explored electronic structures of C-site and Mg-site doped MgCNi$_3$ systems, and described the superconductivity in terms of the conventional phonon mech…
A large number of compounds which contain BiS$_{2}$ layers exhibit enhanced superconductivity upon electron doping. Much interest and research effort has been focused on BiS$_{2}$-based compounds which provide new opportunities for exploring the nature of superconductivity. Important to the study of BiS$_{2}$-based superconductors is the relation between structure and superconductivity. By modifying either the superconducting BiS$_2$ layers or the blocking layers in these layered compounds, one can effectively tune the lattice parameters, local atomic environment, electronic structure, and oth…
This paper presents the comparative study of LDA calculated electronic structure of new isostructural to iron based systems superconductors (Sr,Ca)Pd2As2 with Tc about 1K and similar but structurally different system BaPd2As2. Despite chemical formula looks similar to iron superconductors and even main structural motif is the same - layers of Fe square lattices, electronic structure of (Sr,Ca)Pd2As2 and BaPd2As2 differs from Fe(As,Se)-HTSC completely. All these systems have essentially three dimensional Fermi surfaces in contrast to Fe(As,Se) materials. The Fermi level is crossed by low intens…
We demonstrate that the inclusion of van der Waals dispersive interaction sensibly improves the prediction of lattice constants by density functional theory in iron-chalcogenides (FeCh) superconductor compounds, namely FeSe and FeTe. We show how generalized gradient approximation (GGA) for the exchange correlation potential overestimates the out-of-plane lattice constants in both compounds when compared with experiments. In addition, GGA predicts a too weak bonding between the neutral FeCh layers, with a sensible underestimation of the bulk modulus. van der Waals corrected simulations complete…
One of the reasons for the lack of understanding of both the mechanisms underlying the HTSC phenomenon and of the instability of materials with Tc > 300 K may be the widely accepted but wrong ideas about the types of chemical bonding in a substance and the radii of the atoms and ions. A revision of these concepts started in the beginning of the XX century in connection with the investigation of non-stoichiometric compounds (the berthollides) but did not reach a critical level until recently. Most of the HTSC materials, however, are actually non-stoichiometric nanocomposites, whose components "…
We have carried out nuclear quadrupole resonance (NQR) measurements in the filled skutterudite compounds Pr(Os$_{1-x}$Ru$_x$)$_4$Sb$_{12}$ ($x=0.1, 0.2$), in order to gain insights into the symmetry of the superconducting gap function. Upon replacing Os with Ru, the spin-lattice relaxation rate $1/T_1$ becomes proportional to temperature ($T$) at low $T$ far below $T_c$, and the magnitude of $(1/T_1T)_{low-T}$ increases with increasing Ru content. These results indicate that a finite density of states is induced at the Fermi level by the impurity, and thus suggest that there exist nodes in the…
The superconductor UCoGe is analyzed with electronic structure calculations using Linearized Augmented Plane Wave method based on Density Functional Theory. Ferromagnetic and antiferromagnetic calculations with and without correlations (via LDA+U) were done. In this compound the Fermi level is situated in a region where the main contribution to DOS comes from the U-5f orbital. The magnetic moment is mainly due to the Co-3d orbital with a small contribution from the U-5f orbital. The possibility of fully non-collinear magnetism in this compound seems to be ruled out. These results are compared …
Using angle resolved photoemission it is shown that the low lying electronic states of the iron pnictide parent compound EuFe$_2$As$_2$ are strongly modified in the magnetically ordered, low temperature, orthorhombic state compared to the tetragonal, paramagnetic case above the spin density wave transition temperature. Back-folded bands, reflected in the orthorhombic/ anti-ferromagnetic Brillouin zone boundary hybridize strongly with the non-folded states, leading to the opening of energy gaps. As a direct consequence, the large Fermi surfaces of the tetragonal phase fragment, the low temperat…
Recent experimental discoveries show that hydrogen-rich compounds can reach room temperature superconductivity, at least at high pressures. Also that there exist metallic hydrogen-abundant systems with critical temperatures of few Kelvin, or even with no trace of superconductivity at all. By analyzing through first-principles calculations the structural and electronic properties of more than one hundred compounds predicted to be superconductors in the literature, we determine that the capacity of creating a bonding network of connected localized units is the key to enhance the critical tempera…
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…
A new method to grow very high quality single crystals of the superconducting HgBa2CuO4+δ mercury cuprates is reported. The single crystals are platelet-shaped, with surfaces of high optical quality and good crystallographic properties. Annealing enables optimization of Tc up to Tcmax = 94 K. With adequate treatment, the doping level of the crystalline samples can be finely controlled in a wide under- and over-doped range. Complete structural characterization from single crystal X-ray diffraction data is given for the first time for different doping levels. The role of added gold on the doping…
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…
Iron-based superconductors can be categorized as two types of parent compounds by considering the nature of their temperature-induced phase transitions; namely, first order transitions for 122- and 11-type compounds and second-order transitions for 1111-type compounds. This work examines the structural and magnetic transitions (ST and MT) of CaFeAsH by specific heat, X-ray diffraction, neutron diffraction, and electrical resistivity measurements. Heat capacity measurements revealed a second-order phase transition accompanies an apparent single peak at 96 K. However, a clear ST from the tetrago…
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…
We have discovered a new homologous series of iron pnictide oxides (Fe2As2)(Can+2(Al,Ti)nOy)[n = 2,3,4]. These compounds have perovskite-like blocking layers between Fe2As2 layers. The structure of new compounds are tetragonal with space groups of P4/nmm for n = 2 and 4 and P4mm for n = 3, which are similar to those of (Fe2As2)(Can+1(Sc,Ti)nOy)[n = 3,4,5] found in our previous study. Compounds with n = 3 and 4 have new crystal structures with 3 and 4 sheets of perovskite layers, respectively, including a rock salt layer in each blocking layer. The a-axis lengths of the three compounds are appr…
A new parameter named PESATc (Parametro Estructural de los Superconductores de Alta Temperatura critica) is presented and used to discuss an aproach to the 'Stripe Phases' in (La,Ca)MnO3 superconductors. The PESATc parameter is based on the superposition of an Octahedrical Moebius Strip over the CuO planes and apical oxygen O(4). The linear correlation between PESATc and Tc for Rare Earth based perovskite compound is shown.
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…
We present an extension of the model proposed recently to account for dramatic changes below Tc (anomalies) of some c-axis polarized infrared-active phonons in bilayer cuprate superconductors, that applies to trilayer high-Tc compounds. We discuss several types of phonon anomalies that can occur in these systems and demonstrate that our model is capable of explaining the spectral changes occurring upon entering the superconducting state in the trilayer compound Tl2Ba2Ca2Cu3O10. The low-temperature spectra of this compound obtained by Zetterer and coworkers display an additional broad absorptio…
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…
Iron-chalcogenide compounds with FeSe(Te, S) layers did not attract much attention until the discovery of high-Tc superconductivity (SC) in the iron-pnictide compounds at the begining of 2008. Compared with FeAs-based superconductors, iron-chalcogenide superconductors have aroused enormous enthusiasm to study the relationship between SC and magnetisms with several distinct features, such as different antiferromagnetic ground states with relatively large moments in the parents, indicating possibly different superconducting mechanisms, the existence of the excess Fe atoms or Fe vacancies in the …
We report hydrostatic pressure study on the Rashba-type noncentrosymmetric superconduc- tors CaMSi3 (M= Ir, Pt). The temperature dependence of the resistivity for both compounds is well described by the conventional Bloch-Grüneisen formalism at each pressure. This fact suggests that electron-phonon scattering is dominant in these compounds. The superconducting critical temperature Tc decreases by pressure as \sim 0.2 K/GPa above 0.41 GPa to 2 GPa for both compounds. This behavior of Tc can be explained with a modest decrease of the density of states based on the conventional BCS theory.
The recently discovered quaternary arsenide oxide superconductor La[O1-xFx]FeAs with the superconducting critical transition temperature (Tc) of 26 K [1], has been quickly expanded to another high-Tc superconducting system beyond copper oxides by the replacement of La with other rare earth elements, such as Sm, Ce, and Pr etc. [2-4], and the Pr[O1-xFx]FeAs has become to be the first non-cuprate superconductor that holding a Tc above 50 K. All these arsenide (including phosphide) superconductors formed in a same tetragonal layered structure with the space group P4/nmm which has an alternant sta…
Self-assembling organic polymers and copper-oxide compounds are two classes of "strange" superconductors, whose challenging behavior does not comply with the traditional picture of Bardeen, Cooper, and Schrieffer (BCS) superconductivity in regular crystals. In this paper, we propose a theoretical model that accounts for the strange superconducting properties of either class of the materials. These properties are considered as interconnected manifestations of the same phenomenon: We argue that superconductivity occurs in the both cases because the charge carriers (i.e., electrons or holes) exch…
UBe13 was the second discovered heavy fermion superconductor, and numerous pieces of evidence exist that imply that it is an unconventional (non-BCS, non-s wave pairing symmetry) superconductor. Exhibiting even more signs of unconventional superconductivity, Th-doped UBe13 is perhaps the most puzzling of any of the unconventional superconductors. This review considers both the parent, undoped compound as well as the more interesting Th-doped UBe13. After summarizing the rather thorough characterization, which because of the interest in these compounds has continued from their discovery in 1983…
We report the results of high-field, low-temperature MuSR measurements of the quasi two-dimensional organic superconductors \k{appa}-(ET)2Cu(NCS)2 and \k{appa}-(ET)2Cu[N(CN)2]Br. The MuSR lineshapes for these compounds indicate the existence of partially-ordered vortex lattice phases in the high magnetic field regime, up to 2.5 T for the former compound and 4 T for the latter compound. The observed sharp loss of order is found to be consistent with a vortex-lattice melting transition that is predicted by numerical simulations of weakly coupled layers of pancake vortices. It is argued that the …
We report the nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements for non-centrosymmetric superconductors Re7B3, LaBiPt, and BiPd containing heavy elements. For all three compounds, the spin-lattice relaxation rate 1/T1 shows a coherence peak just below Tc and decreases exponentially at low temperatures, which indicates that an isotropic superconducting gap is dominant in these compounds. In BiPd, the height of the coherence peak just below Tc is much suppressed, which suggests that there exists a substantial component of gap with nodes in this compound. Our re…
We report impact of hydrostatic pressure on the newly discovered BiS2 based superconductors. In last couple of years the new BiS2 based superconductor attracted great attention of the condensed matter physics community. These new layered BiS2-based compounds are very sensitive to the concentration of carriers doping and pressure that cause profound changes in their physical properties with appearance of superconductivity in the vicinity of their insulating/semiconducting state. The BiS2-based new compounds are expected to provide us with the next stage of exploring new superconductors and to d…
We report the effect of hydrostatic pressure (0-1.97GPa) on the superconductivity of BiS2 based CeO0.5F0.5BiS2 compound. The CeO0.5F0.5BiS2 superconductor was synthesized by the solid state reaction route and the compound is crystallized in tetragonal P4/nmm space group. The studied compound shows superconductivity with transition temperature of 2.5K (Tconset) at ambient pressure, which has been enhanced to 8 K at applied pressure of 1.97 GPa. The observed normal resistivity exhibited semiconducting behavior. The data of normal state resistivity R(T) has been fitted by activation type equation…
Angle-resolved photoemission spectroscopy (ARPES) is used to study the scattering rates of charge carriers from the hole pockets near Gamma in the iron-based high-Tc hole doped superconductors KxBa1-xFe2As2 x=0.4 and KxEu1-xFe2As2 x=0.55$ and the electron doped compound Ba(Fe1-xCox)2As2 x=0.075. The scattering rate for any given band is found to depend linearly on energy, indicating a non-Fermi liquid regime. The scattering rates in the hole-doped compound are considerably larger than those in the electron-doped compounds. In the hole-doped systems the scattering rate of the charge carriers of…
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 …
MPX3 (M=metals, X=S or Se) represents a large family of van der Waals (vdW) materials featuring with P-P dimers of ~2.3 Å separation. Its electrical transport property and structure can hardly be tuned by the intentional chemical doping and ionic intercalation. Here, we employ an entropy-enhancement strategy to successfully obtain a series of medium-entropy compounds MEPSe3 (ME=Fe, Mn, Cd and In), in which the electrical and magnetic properties changed simultaneously. Lone-pair electrons of P emerge due to the dissociation of the dimers as evidenced by a 35% elongation in the P-P interatomic d…
By interpreting various experimental data for the new high temperature FeAs type superconductors in terms of lattice mediated multi gap superconductivity, it is shown that these systems strongly resemble MgB2, however, with the distinction that local polaronic lattice effects exist. This fact establishes a connection to cuprate high temperature superconductors where polaron formation is essential for the pseudogap phase and the unconventional isotope effects observed there. However, similar to MgB2 and in contrast to cuprates the two superconducting gaps in the Fe-As based materials are isotro…
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 …
High resolution photoemission measurements have been carried out on non-superconducting LaOFeAs parent compound and various superconducting R(O1-xFx)FeAs (R=La, Ce and Pr) compounds. We found that the parent LaOFeAs compound shows a metallic character. Through extensive measurements, we have identified several common features in the electronic structure of these Fe-based compounds: (1). 0.2 eV feature in the valence band; (2). A universal 13~16 meV feature; (3). A clear Fermi cutoff showing zero leading-edge shift in the superconducting state;(4). Lack of superconducting coherence peak(s); (5)…
The nonsymmorphic Zr$_{2}$Ir alloy is a possible topological semimetal candidate material and as such may be part of an exotic class of superconductors. Zr$_{2}$Ir is a superconductor with a transition temperature of 7.4 K with critical fields of 19.6(3) mT and 3.79(3) T, as determined by heat capacity and magnetisation. Zero field muon spin relaxation measurements show that time-reversal symmetry is preserved in these materials. The specific heat and transverse field muon spin rotation measurements rule out any possibility to have a nodal or anisotropic superconducting gap, revealing a conven…
Neutron and x-ray powder diffraction have been used to investigate the crystal structures of a sample of the newly-discovered superconducting sodium cobaltate deuterate compound with composition Na0.31(3)CoO2o1.25(2)D2O and its anhydrous parent compound Na0.61(1)CoO2. The deuterate superconducting compound is formed by coordinating four D2O molecules (two above and two below) to each Na ion in a way that gives Na-O distances nearly equal to those in the parent compound. One deuteron of the D2O molecule is hydrogen bonded to an oxygen atom in the CoO2 plane and the oxygen atom and the second de…
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…
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…
Antiferromagnetic superconductors in a magnetic field are studied. We examine a mechanism which significantly reduces the Pauli paramagnetic pair-breaking effect. The mechanism is realized even in the presence of the orbital pair-breaking effect. We illustrate it using a three-dimensional model with an intercalated magnetic subsystem. The upper critical field is calculated for various parameters. It is shown that the upper critical field can reach several times the pure Pauli paramagnetic limit. The possible relevance to the large upper critical field observed in the heavy fermion antiferromag…
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 …
We report superconductivity in the ternary half-Heusler compound LuPtBi, with Tc = 1.0 K and Hc2 = 1.6 T. The crystal structure of LuPtBi lacks inversion symmetry, hence the material is a noncentrosymmetric superconductor. Magnetotransport data show semimetallic behavior in the normal state, which is evidence for the importance of spin-orbit interaction. Theoretical calculations indicate that the strong spin-orbit interaction in LuPtBi should cause strong band inversion, making this material a promising candidate for 3D topological superconductivity.
Ab initio low-energy effective Hamiltonians of two typical high-temperature copper-oxide superconductors, whose mother compounds are La$_2$CuO$_4$ and HgBa$_2$CuO$_4$, are derived by utilizing the multi-scale ab initio scheme for correlated electrons (MACE). The effective Hamiltonians obtained in the present study serve as platforms of future studies to accurately solve the low-energy effective Hamiltonians beyond the density functional theory. It allows further study on the superconducting mechanism from the first principles and quantitative basis without adjustable parameters not only for th…
