Spin Density Wave State Research Articles

Spin-wave excitations in the spin-density wave state of doped iron pnictides

We investigate spin-wave excitations in the spin-density wave state of doped iron pnictides within a five-orbital model. We find that the excitations along () → () are very sensitive to dopings whereas they do not exhibit a similar sensitivity along () → (). Secondly, the ellipticity of the elliptical ring-like excitations around () is also very much dependent on doping. Thirdly, the spin-wave spectral weight shifts towards the low-energy region as it moves away from zero doping. We find several features to be in qualitative agreement with the inelastic neutron-scattering measurements for the doped pnictides.

Publisher's Note: Quantum oscillations in the anomalous spin density wave state of FeAs [Phys. Rev. B 96 , 075120 (2017)

Received 23 August 2017DOI:https://doi.org/10.1103/PhysRevB.96.079908©2017 American Physical SocietyPhysics Subject Headings (PhySH)Research AreasAntiferromagnetismFermi surfacePhysical SystemsAntiferromagnetsPnictidesTechniquesCrystal growthde Haas-van Alphen effectCondensed Matter, Materials & Applied Physics

Spin-wave excitations in the SDW state of iron pnictides: A comparison between the roles of interaction parameters

We investigate the roles of interaction parameters in the spin-wave excitations of the (π,0) ordered magnetic state within a five-orbital tight-binding model for iron pnictides. To differentiate between the roles of intraorbital Coulomb interaction (U) and Hund's coupling (J), we focus on the self-consistently obtained mean-field spin-density wave state with a fixed magnetic moment obtained by using different combinations of interaction parameters. We find that J is crucial for the description of various experimentally observed characteristics of the spin-wave excitations including energy-dependent behavior, spin-wave spectral weight distribution, and anisotropy. In particular, J at the higher end of the range of various theoretical and experimental estimates (J∼U/4) is required to explain the sharp and well-defined spin-wave dispersion in most part of the high-symmetry directions. Moreover, a similar value is also needed for the spectral weight to be concentrated near energy ≳200 meV.

Quantum oscillations in the anomalous spin density wave state of FeAs

Quantum oscillations in the binary antiferromagnetic metal FeAs are presented and compared to theoretical predictions for the electronic band structure in the anomalous spin density wave state of this material. Demonstrating a new method for growing single crystals out of Bi flux, we utilize the highest quality FeAs to perform torque magnetometry experiments up to 35 T, using rotations of field angle in two planes to provide evidence for one electron and one hole band in the magnetically ordered state. The resulting picture agrees with previous experimental evidence for multiple carriers at low temperatures, but the exact Fermi surface shape differs from predictions, suggesting that correlations play a role in deviation from ab initio theory and cause up to a four-fold enhancement in the effective carrier mass.

Transformation of Structure, Electrical Conductivity, and Magnetism in AA'Fe2O6-δ, A = Sr, Ca and A' = Sr.

The ability to control electrical properties and magnetism by varying the crystal structure using the effect of the A-site cation in oxygen-deficient perovskites has been studied in AA'Fe2O6-δ, where A = Sr, Ca and A' = Sr. The structure of Sr2Fe2O6-δ, synthesized at 1250 °C in air, contains dimeric units of FeO5 square pyramids separated by FeO6 octahedra. Here we show that this ordering scheme can be transformed by changing the A-site cations from Sr to Ca. This leads to a structure where layers of corner-sharing FeO6 octahedra are separated by chains of FeO4 tetrahedra. Through systematic variation of the A-site cations, we have determined the average ionic radius required for this conversion to be ∼1.41 Å. We have demonstrated that the magnetic structure is also transformed. The Sr2 compound has an incommensurate magnetic structure, where magnetic moments are in spin-density wave state, aligning perpendicular to the body diagonal of the unit cell. With the aid of neutron diffraction experiments at 10 and 300 K, we have shown that the magnetic structure is converted into a long-range G-type antiferromagnetic system when one Sr is replaced by Ca. In this G-type ordering scheme, the magnetic moments align in the 001 direction, antiparallel to their nearest neighbors. We have also performed variable-temperature electrical conductivity studies on these materials in the temperature range 298-1073 K. These studies have revealed the transformation of charge transport properties, where the metallic behavior of the Sr2 compound is converted into semiconductivity in the CaSr material. The trend of conductivity as a function of temperature is reversed upon changing the A-site cation. The conductivity of the Sr2 compound shows a downturn, while the conductivity of the CaSr material increases as a function of temperature. We have also shown that the CaSr compound exhibits temperature-dependent behavior typical of a mixed ionic-electronic conducting system.

Dimensionality Effects in FeGe2 Nanowires: Enhanced Anisotropic Magnetization and Anomalous Electrical Transport

We report the synthesis of single-crystal iron germanium nanowires via chemical vapor deposition without the assistance of any catalysts. The assembly of single-crystal FeGe2 nanowires with tetragonal C16 crystal structure shows anisotropic magnetic behavior along the radial direction or the growth axial direction, with both antiferromagnetic and ferromagnetic orders. Single FeGe2 nanowire devices were fabricated using e-beam lithography. Electronic transport measurement in these devices show two resistivity anomalies near 250 K and 200 K which are likely signatures of the two spin density wave states in FeGe2.

Emergent electronic structure of CaFe2As2

CaFe2As2 exhibits collapsed tetragonal (cT) structure and varied exotic behaviour under pressure at low temperatures that led to debate on linking the structural changes to its exceptional electronic properties like superconductivity, magnetism, etc. Here, we investigate the electronic structure of CaFe2As2 forming in different structures employing density functional theory. The results indicate that the stability of the cT phase under pressure arises from the enhancement in hybridization induced effects and shift of the energy bands towards lower energies. The Fermi surface centered around Γ point gradually vanishes with the increase in pressure. Consequently, the nesting between the hole and electron Fermi surfaces associated to the spin density wave state disappears indicating a pathway to achieve the proximity to quantum fluctuations. The magnetic moment at the Fe sites diminishes in the cT phase consistent with the magnetic susceptibility results. Notably, the hybridization of Ca 4s states (Ca-layer may be treated as a charge reservoir layer akin to those in cuprate superconductors) is significantly enhanced in the cT phase revealing its relevance in its interesting electronic properties.

Possible coexistence of double-Q magnetic order and chequerboard charge order in the re-entrant tetragonal phase of Ba0.76K0.24Fe2As2

We investigate the re-entrant tetragonal phase in the iron-based superconductor Ba0 .76K0.24Fe2As2 by DC magnetization and thermoelectrical measurements. The reversible magnetization confirms by a thermodynamic method that the spin alignment in the re-entrant C4 phase is out-of-plane, in agreement with an itinerant double-Q magnetic order [Allred et al., Nat. Phys. 12, 493 (2016)]. The Nernst coefficient shows the typical unusually large negative value in the stripe-type spin density wave (SDW) state owing to the Fermi surface reconstruction associated with SDW and nematic order. At the transition into the re-entrant C4 tetragonal phase it hardly changes, which could indicate that instead of a complete vanishing of the associated charge order, the spin reorientation could trigger a redistribution of the charges to form a secondary charge order, e.g. in form of a chequerboard-like pattern that no longer breaks the rotational C4 symmetry.

Phase diagram of weakly coupled Heisenberg spin chains subject to a uniform Dzyaloshinskii-Moriya interaction

Motivated by recent experiments on spin chain materials K$_2$CuSO$_4$Cl$_2$ and K$_2$CuSO$_4$Br$_2$, we theoretically investigate the problem of weakly coupled spin chains (chain exchange $J$, interchain $J'$) subject to a $\textit{staggered between chains}$, but $\textit{uniform}$ within a given chain, Dzyaloshinskii-Moriya (DM) interaction of magnitude $D$. In the experimentally relevant limit $J' \ll D \ll J$ of strong DM interaction the spins on the neighboring chains are forced to rotate in opposite directions, effectively resulting in a cancelation of the interchain interaction between components of spins in the plane normal to the vector ${\pmb D}$. This has the effect of promoting two-dimensional collinear spin density wave (SDW) state, which preserves U(1) symmetry of rotations about the $\pmb D$-axis. We also investigate response of this interesting system to an external magnetic field ${\pmb h}$ and obtain the $h-D$ phase diagrams for the two important configurations, ${\pmb h} \parallel {\pmb D}$ and ${\pmb h} \perp {\pmb D}$.

Ultrafast melting of spin density wave order in BaFe2As2 observed by time- and angle-resolved photoemission spectroscopy with extreme-ultraviolet higher harmonic generation

Transient single-particle spectral function of BaFe$_{2}$As$_{2}$, a parent compound of iron-based superconductors, has been studied by time- and angle-resolved photoemission spectroscopy with an extreme-ultraviolet laser generated by higher harmonics from Ar gas, which enables us to investigate the dynamics in the entire Brillouin zone. We observed electronic modifications from the spin-density-wave (SDW) ordered state within $\sim$ 1 ps after the arrival of a 1.5 eV pump pulse. We observed optically excited electrons at the zone center above $E_{F}$ at 0.12 ps, and their rapid decay. After the fast decay of the optically excited electrons, a thermalized state appears and survives for a relatively long time. From the comparison with the density-functional theory band structure for the paramagnetic and SDW states, we interpret the experimental observations as the melting of the SDW. Exponential decay constants for the thermalized state to recover back to the SDW ground state are $\sim$ 0.60 ps both around the zone center and the zone corner.

Theory of the evolution of superconductivity in Sr2RuO4 under anisotropic strain

Sr2RuO4 is a leading candidate for chiral p-wave superconductivity. The detailed mechanism of superconductivity in this material is still the subject of intense investigations. Since superconductivity is sensitive to the topology of the Fermi surface (the contour of zero-energy quasi-particle excitations in the momentum space in the normal state), changing this topology can provide a strong test of theory. Recent experiments tuned the Fermi surface topology efficiently by applying planar anisotropic strain. Using functional renormalization group theory, we study the superconductivity and competing orders in Sr2RuO4 under strain. We find a rapid initial increase in the superconducting transition temperature Tc, which can be associated with the evolution of the Fermi surface toward a Lifshitz reconstruction under increasing strain. Before the Lifshitz reconstruction is reached, however, the system switches from the superconducting state to a spin density wave state. The theory agrees well with recent strain experiments showing an enhancement of Tc followed by an intriguing sudden drop.

Non-Fermi surface nesting driven commensurate magnetic ordering in Fe-doped Sr2RuO4

Sr$_2$RuO$_4$, an unconventional superconductor, is known to possess an incommensurate spin density wave instability driven by Fermi surface nesting. Here we report a static spin density wave ordering with a commensurate propagation vector $q_c$ = (0.25 0.25 0) in Fe-doped Sr$_2$RuO$_4$, despite the magnetic fluctuations persisting at the incommensurate wave vectors $q_{ic}$ = (0.3 0.3 L) as in the parent compound. The latter feature is corroborated by the first principles calculations, which show that Fe substitution barely changes the nesting vector of the Fermi surface. These results suggest that in addition to the known incommensurate magnetic instability, Sr$_2$RuO$_4$ is also in proximity to a commensurate magnetic tendency that can be stabilized via Fe doping.

Collective magnetic excitations of C4 -symmetric magnetic states in iron-based superconductors

We study the collective magnetic excitations of the recently discovered $C_{4}$ symmetric spin-density wave states of iron-based superconductors with particular emphasis on their orbital character based on an itinerant multiorbital approach. This is important since the $C_{4}$ symmetric spin-density wave states exist only at moderate interaction strengths where damping effects from a coupling to the continuum of particle-hole excitations strongly modifies the shape of the excitation spectra compared to predictions based on a local moment picture. We uncover a distinct orbital polarization inherent to magnetic excitations in $C_{4}$ symmetric states, which provide a route to identify the different commensurate magnetic states appearing in the continuously updated phase diagram of the iron-pnictide family.

Instability of three-band Tomonaga-Luttinger liquid: Renormalization group analysis and possible application toK2Cr3As3

Motivated by recently discovered quasi-one-dimensional superconductor K$_{2}$Cr$_{3}$As$_{3}$ with $D_{3h}$ lattice symmetry, we study one-dimensional three-orbital Hubbard model with generic electron repulsive interaction described by intra-orbital repulsion $U$, inter-orbital repulsion, and Hund's coupling $J$. As extracted from density functional theory calculation, two of the three atomic orbitals are degenerate ($E^{\prime}$ states) and the third one is non-degenerate ($A^{\prime}_1$), and the system is presumed to be at an incommensurate filling. With the help of bosonization, we have usual three-band Tomonaga-Luttinger liquid for the normal state. Possible charge density wave (CDW), spin density wave (SDW) and superconducting (SC) instabilities are analyzed by renormalization group. The ground state depends on the ratio $J/U$ and is sensitive to the degeneracy of $E^{\prime}$ bands. At $0<J<U/3$, spin-singlet SC state is favored, while spin-triplet superconductivity will be favored in the region $U/3<J<U/2$. The SDW state has the lowest energy only in the unphysical parameter region $J>U/2$. When the two-fold degeneracy of $E^{\prime}$ bands is lifted, SDW instability has the tendency to dominate over the spin-singlet SC state at $0<J<U/3$, while the order parameter of the spin-triplet SC state will be modulated by a phase factor $2\Delta k_F x$ at $U/3<J<U/2$. Possible experimental consequences and applications to K$_{2}$Cr$_{3}$As$_{3}$ are discussed.

Self-hole-doping–induced superconductivity in KCa2Fe4As4F2

The electronic structure, magnetism, Fermi surface nesting, and bare susceptibility of the superconductor KCa2Fe4As4F2 are discussed in relation to the Fe-pnictide superconductors based on the first-principle calculations. There are ten bands crossing the Fermi level in the nonmagnetic (NM) states, resulting in six hole-like Fermi surface (FS) sheets along the line and four electron-like FS sheets along the line. It is more complicated than other FeAs-based superconductors, showing multi-bands character. Fixed spin moment calculations and the total energies of different magnetic phase indicate that KCa2Fe4As4F2 has a strong tendency towards magnetism, i.e., the stripe antiferromagnetic state. But the self-hole-doping suppressed the spin-density wave state, and then induced superconductivity in the parent compound. Such self-doping strategy may be used for future exploration of new superconductors.

Magnetic phases and unusual topological electronic structures of Weyl semimetals in strong interaction limit

The interplay of electronic band structures and electron-electron interactions is known to brew new phases in condensed matter. In this paper, we investigate thermodynamic phases and corresponding electronic structures of the Weyl semimetal in the strong onsite Coulomb interaction limit. Based on a minimum model of the Weyl semimetal with two linear Weyl nodes, it is shown that generically the Weyl semimetal becomes magnetic in the presence of interactions. In particular, it is shown that the Dzyaloshinskii-Moriya exchange interaction is generally induced so that the A-type antiferromagnetic (A-AFM) phase and the spiral spin density wave (SSDW) states are two generic phases. Furthermore, we find that Weyl nodes proliferate and it is possible to doubly enhance the unusual properties of non-interacting Weyl semimetals through the realization of double-Weyl nodes in strong correlation limit. Specifically, it is shown that in the SSDW phase, linear Weyl nodes are tuned into double-Weyl nodes with the corresponding charges being $\pm 2$. As the spin-orbit coupling increases, a quantum phase transition occurs with the SSDW phase being turned into an A-AFM phase and at the same time, double-Weyl nodes are disintegrated into two pairs of linear Weyl nodes. Our results reveal the unusual interplay between the topology of electronic structures and magnetism in strongly correlated phases of Weyl semimetals.

Quasiparticle scattering interference in iron pnictides: A probe of the origin of nematicity

In this paper, we investigate the quasiparticle scattering interference(QPI) in the nematic phase of iron pnictides, based on the magnetic and orbital scenarios of nematicity, respectively. In the spin density wave(SDW) state, the QPI pattern exhibits a dimer structure in the energy region of the SDW gap, with its orientation along the ferromagnetic direction of the SDW order. When the energy is increased to be near the Fermi level, it exhibits two sets of dimers along the same direction. The dimer structure of the QPI patterns persists with the decrease of the SDW correlation length in the magnetic driven nematic phase, although it tends to merge together for the scattering patterns with energies close to the Fermi level. While in the orbital scenario, the QPI patterns exhibit a dimer structure in a wide energy region. It undergoes a {\pi}/2 rotation with the increasing of energy, which is associated with the inequivalent energies of the two Dirac nodes induced by the orbital order. These distinct features may be used to probe or distinguish two kinds of scenarios of the nemeticity.

Unconventional Bose-Einstein condensation in a system with two species of bosons in thep-orbital bands in an optical lattice

In the context of Gross-Pitaevskii theory, we investigate the unconventional Bose-Einstein condensations in the two-species mixture with $p$-wave symmetry in the second band of a bipartite optical lattice. A new imaginary-time propagation method is developed to numerically determine the $p$-orbital condensation. Different from the single-species case, the two-species boson mixture exhibits two non-equivalent complex condensates in the intraspecies-interaction-dominating regime, exhibiting the vortex-antivortex lattice configuration in the charge and spin channels, respectively. When the interspecies interaction is tuned across the SU(2) invariant point, the system undergoes a quantum phase transition toward a checkerboard-like spin density wave state with a real-valued condensate wavefunction. The influence of lattice asymmetry on the quantum phase transition is addressed. Finally, we present a phase-sensitive measurement scheme for experimentally detecting the UBEC in our model.

Investigation of magnetic phases in parent compounds of iron-chalcogenides via quasiparticle scattering interference

We employ a five-orbital tight-binding model to develop the mean-field solution for various possible spin density wave states in the iron-chalcogenides. The quasiparticle interference (QPI) technique is applied to detect signatures of these states due to scatterings arising from non-magnetic impurities. Apart from the experimentally observed double-striped structure with ordering vector , the QPI method is investigated for the extended-stripe as well as the orthogonal double-stripe phase. We discuss QPI as a possible tool to detect and classify various magnetic structures with different electronic structure reconstruction within the framework of the compound.

Absence of nematic order in the pressure-induced intermediate phase of the iron-based superconductorBa0.85K0.15Fe2As2

The hole doped Fe-based superconductors Ba$_{1-x}$A$_x$Fe$_2$As$_2$ (where A=Na or K) show a particular rich phase diagram. It was observed that an intermediate re-entrant tetragonal phase forms within the orthorhombic antiferromagnetically-ordered stripe-type spin density wave state above the superconducting transition [S. Avci et al., Nature Comm. 5, 3845 (2014), A. E. B\"ohmer et al., arXiv:1412.7038v2]. A similar intermediate phase was reported to appear if pressure is applied to underdoped Ba$_{1-x}$K$_x$Fe$_2$As$_2$ [E. Hassinger et al., Phys. Rev. B 86, 140502(R) (2012)]. Here we report data of the electric resistivity, Hall effect, specific heat, and the thermoelectrical Nernst and Seebeck coefficients measured on a Ba$_{0.85}$K$_{0.15}$Fe$_2$As$_2$ single crystal under pressure up to 5.5 GPa. The data reveals a coexistence of the intermediate phase with filamentary superconductivity. The Nernst coefficient shows a large signature of nematic order that coincides with the stripe-type spin density wave state up to optimal pressure. In the pressure-induced intermediate phase the nematic order is removed, thus confirming that its nature is a re-entrant tetragonal phase.