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At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Electronic Correlation and Magnetism in the Ferromagnetic Metal Fe 3 GeTe 2

Motivated by the search for design principles of rare-earth-free strong magnets, we present a study of electronic structure and magnetic properties of the ferromagnetic metal Fe3GeTe2 within local density approximation (LDA) of the density functional theory, and its combination with dynamical mean-field theory (DMFT). For comparison to these calculations, we have measured magnetic and thermodynamic properties as well as X-ray magnetic circular dichroism and the photoemission spectrum of single crystal Fe3GeTe2. We find that the experimentally determined Sommerfeld coefficient is enhanced by an order of magnitude with respect to the LDA value. This enhancement can be partially explained by LDA+DMFT. Additionally, the inclusion of dynamical electronic correlation effects provides the experimentally observed magnetic moments, and the spectral density is in better agreement with photoemission data. Lastly, these results establish the importance of electronic correlations in this ferromagnet.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Spin torque and Nernst effects in Dzyaloshinskii-Moriya ferromagnets

Here, we predict that a temperature gradient can induce a magnon-mediated intrinsic torque in systems with a nontrivial magnon Berry curvature. With the help of a microscopic linear response theory of nonequilibrium magnon-mediated torques and spin currents we identify the interband and intraband components that manifest in ferromagnets with Dzyaloshinskii-Moriya interactions and magnetic textures. To illustrate and assess the importance of such effects, we apply the linear response theory to the magnon-mediated spin Nernst and torque responses in a kagome lattice ferromagnet.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

From Complex Magnetism Ordering to Simple Ferromagnetism in Two-Dimensional LaCrSb 3 by Hole Doping

Competing orders widely exist in many material systems, such as superconductivity, magnetism, and ferroelectricity; LaCrSb 3 is a highly anisotropic magnetic material in which the spins are aligned ferromagnetically in one direction and canted antiferromagnetically in another in the Cr-Sb chains. Hole doping with Sr 2+ and Ca 2+ in the La site suppresses the antiferromagnetic correlations and transforms the anisotropic magnetic order into a ferromagnetic lattice in all directions. Here, first-principles density functional theory calculations show that the canted magnetic order becomes energetically less favorable compared to the FM order upon hole doping. Doping in the La site is an effective approach to modulate the competing orders in LaCrSb 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2016

Ferromagnetism beyond Lieb's theorem

The noninteracting electronic structures of tight-binding models on bipartite lattices with unequal numbers of sites in the two sublattices have a number of unique features, including the presence of spatially localized eigenstates and flat bands. When a uniform on-site Hubbard interaction U is turned on, Lieb proved rigorously that at half-filling (ρ = 1) the ground state has a nonzero spin. In this paper we consider a “CuO 2 lattice” (also known as “Lieb lattice,” or as a decorated square lattice), in which “d orbitals” occupy the vertices of the squares, while “ p orbitals” lie halfway between two d orbitals; both d and p orbitals can accommodate only up to two electrons. We use exact determinant quantum Monte Carlo (DQMC) simulations to quantify the nature of magnetic order through the behavior of correlation functions and sublattice magnetizations in the different orbitals as a function of U and temperature; we have also calculated the projected density of states, and the compressibility. Here, we study both the homogeneous (H) case, U d = U p , originally considered by Lieb, and the inhomogeneous (IH) case, U d ≠ U p . For the H case at half-filling, we found that the global magnetization rises sharply at weak coupling, and then stabilizes towards the strong-coupling (Heisenberg) value, as a result of the interplay between the ferromagnetism of like sites and the antiferromagnetism between unlike sites; we verified that the system is an insulator for all U. For the IH system at half-filling, we argue that the case U p ≠ U d falls under Lieb's theorem, provided they are positive definite, so we used DQMC to probe the cases U p = 0, U d = U and Up = U, U d = 0. We found that the different environments of d and p sites lead to a ferromagnetic insulator when U d = 0; by contrast, U p = 0 leads to to a metal without any magnetic ordering. In addition, we have also established that at density ρ = 1/3, strong antiferromagnetic correlations set in, caused by the presence of one fermion on each d site.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Excitations and magnetization density distribution in the dilute ferromagnetic semiconductor Yb 14 MnSb 11

One rare example of a Kondo lattice compound with ferromagnetic dominated RKKY interactions is Yb$_{14}$MnSb$_{11}$. As a ferromagnetic semiconductor with $T_c \approx 53$~K, it is also a potential compound for exploration of spintronic devices. This material is furthermore one of the most efficient high temperature thermoelectrics. We describe measurements which answer remaining questions regarding the energy scales of the exchange interactions, the valence and the magnetization density distribution in this system. We also find that the system consists of RKKY exchange coupled Mn$^{2+}$ sites with nearest and next nearest exchange interactions dominating the magnetic spectrum with no significant magnetization density localized on other atomic sites. The extended spread of a negative magnetization around each of the Mn ions supports a Kondo screening cloud scenario for Yb$_{14}$MnSb$_{11}$.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Strong ferromagnetic exchange interaction under ambient pressure in BaFe 2 S 3

Inelastic neutron scattering measurements have been performed to investigate the spin waves of the quasi-one-dimensional antiferromagnetic ladder compound BaFe 2 S 3 , where a superconducting transition was observed under pressure [H. Takahashi et al., Nat. Mater. 14, 1008 (2015); T. Yamauchi et al., Phys. Rev. Lett. 115, 246402 (2015)]. By fitting the spherically averaged experimental data collected on a powder sample to a Heisenberg Hamiltonian, we find that the one-dimensional antiferromagnetic ladder exhibits a strong nearest-neighbor ferromagnetic exchange interaction (SJ R = - 71 ± 4 meV) along the rung direction, an antiferromagnetic SJ L = 49 ± 3 meV along the leg direction, and a ferromagnetic SJ 2 = - 15 ± 2 meV along the diagonal direction. Finally, our data demonstrate that the antiferromagnetic spin excitations are a common characteristic for the iron-based superconductors, while specific relative values for the exchange interactions do not appear to be unique for the parent states of the superconducting materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Critical behavior of quasi-two-dimensional semiconducting ferromagnet Cr 2 Ge 2 Te 6

Some critical properties of the single-crystalline semiconducting ferromagnet Cr 2 Ge 2 Te 6 were investigated by bulk dc magnetization around the paramagnetic to ferromagnetic phase transition. Critical exponents β = 0.200 ± 0.003 with a critical temperature T c = 62.65 ± 0.07 K and γ = 1.28 ± 0.03 with T c = 62.75 ± 0.06 K are obtained by the Kouvel-Fisher method whereas δ = 7.96 ± 0.01 is obtained by a critical isotherm analysis at T c = 62.7 K. These critical exponents obey the Widom scaling relation δ = 1 + γ / β , indicating self-consistency of the obtained values. Furthermore, with these critical exponents the isotherm M ( H ) curves below and above the critical temperatures collapse into two independent universal branches, obeying the single scaling equation m = f ± ( h ) , where m and h are renormalized magnetization and field, respectively. The determined exponents match well with those calculated from the results of the renormalization group approach for a two-dimensional Ising system coupled with a long-range interaction between spins decaying as J ( r ) ≈ r - ( d + σ ) with σ = 1.52 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Critical behavior of the quasi-two-dimensional weak itinerant ferromagnet trigonal chromium telluride Cr 0.62 Te

The critical properties of flux-grown single-crystalline quasi-two-dimensional weak itinerant ferromagnet Cr 0.62 Te were investigated by bulk dc magnetization around the paramagnetic to ferromagnetic phase transition. Critical exponents β = 0.315 ( 7 ) with a critical temperature T c = 230.6 ( 3 ) K and γ = 1.81 ( 2 ) with T c = 229.1 ( 1 ) K are obtained by the Kouvel-Fisher method whereas δ = 6.35 ( 4 ) is obtained by a critical isotherm analysis at T c = 230 K. With these obtained exponents, the magnetization-field-temperature curves collapse into two independent curves following a single scaling equation M | T-T c /T c | -β = f ± ( H |T-T c /T c | -β δ ) around T c , suggesting the reliability of the obtained exponents. Additionally, the determined exponents of Cr 0.62 Te exhibit an Ising-like behavior with a change from short-range order to long-range order in the nature of magnetic interaction and with an extension from two to three dimensions on cooling through T c .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Critical behavior of the van der Waals bonded ferromagnet Fe 3 - x GeTe 2

The critical properties of the single-crystalline van der Waals bonded ferromagnet Fe 3-x GeTe 2 were investigated by bulk dc magnetization around the paramagnetic to ferromagnetic (FM) phase transition. The Fe 3-x GeTe 2 single crystals grown by self-flux method with Fe deficiency x ≈ 0.36 exhibit bulk FM ordering below T c = 152 K. The Mössbauer spectroscopy was used to provide information on defects and local atomic environment in such crystals. Critical exponents β = 0.372(4) with a critical temperature T c = 151.25(5) K and γ = 1.265(15) with T c = 151.17(12) K are obtained by the Kouvel-Fisher method, whereas δ = 4.50 ( 1 ) is obtained by a critical isotherm analysis at T c = 151 K. These critical exponents obey the Widom scaling relation δ = 1 + γ / β , indicating self-consistency of the obtained values. With these critical exponents the isotherm M(H) curves below and above the critical temperatures collapse into two independent universal branches, obeying the single scaling equation m = f±(h), where m and h are renormalized magnetization and field, respectively. The exponents determined in this study are close to those calculated from the results of the renormalization group approach for a heuristic model of three-dimensional Heisenberg (d = 3,n = 3) spins coupled with the attractive long-range interactions between spins that decay as J(r) ≈ r -(3+σ) with σ = 1.89.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Anomalous Hall effect in the van der Waals bonded ferromagnet Fe 3 - x GeTe 2

Here, we report the anomalous Hall effect (AHE) in single crystals of a quasi-two-dimensional Fe 3–x GeTe 2 (x ≈ 0.36) ferromagnet grown by the flux method which induces defects on the Fe site and bad metallic resistivity. Fe K-edge x-ray absorption spectroscopy was measured to provide information on the local atomic environment in such crystals. The dc and ac magnetic susceptibility measurements indicate a second-stage transition below 119 K in addition to the paramagnetic to ferromagnetic transition at 153 K. A linear scaling behavior between the modified anomalous Hall resistivity ρxy/μ0Heff and longitudinal resistivity ρ 2 xx M/μ 0 H eff implies that the AHE in Fe 3–x GeTe 2 should be dominated by the intrinsic Karplus-Luttinger mechanism rather than the extrinsic skew-scattering and side-jump mechanisms. The observed deviation in the linear- M Hall conductivity σ A xy below 30 K is in line with its transport characteristic at low temperatures, implying the scattering of conduction electrons due to magnetic disorder and the evolution of the Fermi surface induced by a possible spin-reorientation transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Two-stage proximity-induced gap opening in topological-insulator–insulating-ferromagnet ( Bi x Sb 1 - x ) 2 Te 3 – EuS bilayers

To further investigate the interplay between ferromagnetism and topological insulators, thin films of the low-carrier topological insulator (Bi x Sb 1 - x ) 2 Te 3 were deposited on the insulating ferromagnet EuS (100) in situ. AC susceptibility indicates magnetic anomalies between T ≈ 30 K and T ≈ 60 K , well above the Curie temperature T C ≈ 15 K of EuS. When the Fermi level is close to the Dirac point and the surface state dominates the electric conduction, sharp increases in resistance with decreasing temperatures were observed concurrently with the magnetic anomalies. Positive-negative magnetoresistance crossovers were observed at the Curie temperature, which seem only to appear when the sheet resistance exceeds the Mott-Ioffe-Regel limit h/e 2 . Finally, a two-stage gap-opening process due to magnetic proximity is proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Ferromagnetic spin fluctuations in the filled skutterudite SrFe 4 As 12 revealed by 75 As NMR-NQR measurements

75 As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements have been carried out to investigate the magnetic and electronic properties of the filled skutterudite metallic compound SrFe 4 As 12 . The temperature dependence of Knight shift K determined by the NQR spectrum under a small magnetic field (≤ 0.5T) shows the similar temperature dependence of the magnetic susceptibility χ which exhibits a broad maximum at T* ~50 K. The nuclear spin-lattice relaxation rate divided by temperature 1/T 1 T increases with decreasing temperature and exhibits a broad maximum at T~70 K, similar to the case of χ. The temperature dependence of K and 1/T 1 T is reasonably explained by a simple model where we assume a concave-shaped band structure near the Fermi energy. Based on a Korringa ratio analysis using the T1 and K data, ferromagnetic spin fluctuations are found to exist in SrFe 4 As 12 . Furthermore, these results indicate that SrFe 4 As 12 can be characterized to be a metal with ferromagnetic correlations and also the peculiar band structure responsible for the suppression of 1/T 1 T and K at low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Energy-momentum tensor of a ferromagnet

The energy-momentum tensor of a ferromagnet derived according to the standard prescription of Noether's theorem has a major flaw: the term originating from the spin Berry phase is gauge dependent. As a consequence, some physical quantities computed from the tensor show unphysical behavior. For example, the presence of a spin-polarized current does not affect the energy of the domain wall in the commonly accepted gauge, which implies, incorrectly, the absence of the adiabatic spin torque. In other gauges, the spin torque shows unphysical glitches occurring when the plane of magnetization crosses the Dirac string associated with a magnetic monopole in spin space. We derive a gauge-invariant energy-momentum tensor that is free from these artifacts but requires the addition of an extra spatial dimension, with the ferromagnet living on its boundary. As a result, it can be obtained most directly from the Wess-Zumino action for spins, which relies on the same extra dimension.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Magnetization-induced shape transformations in flexible ferromagnetic rings

Flexible ferromagnetic rings are spin-chain magnets, in which the magnetic and mechanical subsystems are coupled. The coupling is achieved through the tangentially oriented anisotropy axis. The possibility to operate the mechanics of the nanomagnets by controlling their magnetization is an important issue for the nanorobotics applications. A minimal model for the deformable curved anisotropic Heisenberg ferromagnetic wire is proposed. An equilibrium phase diagram is constructed for the closed loop geometry: (i) A vortex state with vanishing total magnetic moment is typical for relatively large systems; in this case, the wire has the form of a regular circle. (ii) A topologically trivial onion state with the planar magnetization distribution is realized in small enough systems; magnetic loop is elliptically deformed. By varying geometrical and elastic parameters, a phase transition between the vortex and onion states takes place. The detailed analytical description of the phase diagram is well confirmed by numerical simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Two-dimensional ordering and collective magnetic excitations in the dilute ferromagnetic topological insulator ( Bi 0.95 Mn 0.05 ) 2 Te 3

Employing elastic and inelastic neutron scattering (INS) techniques, we introduce the microscopic properties of the ferromagnetism in the dilute magnetic topological insulator ( Bi 0.95 Mn 0.05 ) 2 Te 3 . Neutron diffraction of polycrystalline samples shows the ferromagnetic (FM) ordering is long range within the basal plane, and mainly two dimensional (2D) in character with short-range correlations between layers below T C ≈ 13 K. Remarkably, we observe gapped and collective magnetic excitations in this dilute magnetic system. The excitations appear typical of quasi-2D FM systems despite the severe broadening of short-wavelength magnons which is expected from the random spatial distribution of Mn atoms in the Bi planes. A detailed investigation of the INS provides the average values for exchange couplings which are consistent with reports of carrier-mediated interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Electronic structure and anomalous Hall effect in the ferromagnetic 3d-5d superlattice SrMnO3/SrIrO3

The electronic structure and the anomalous Hall effect (AHE) at the recently grown 3 d - 5 d superlattice structure (SrMnO 3 ) 1 / (SrIrO 3 ) 1 are investigated theoretically using model and density-functional calculations. The observed ferromagnetism for the SMO layer, which becomes electron doped because of the charge transfer across the interface, is explained to be due to the Anderson-Hasegawa double exchange, while the SIO side becomes ferromagnetic due to the proximity effect and the Nagaoka physics of a hole-doped system. The broken time-reversal symmetry and the strong spin-orbit coupling in SIO provide the two essential ingredients for the AHE, which we describe within a square lattice model of d-orbitals relevant for the present structure. The model correctly predicts the order of magnitude of the anomalous Hall conductivity (AHC), which is computed using the Kubo formula. The density-functional results for the AHC are in good agreement with the experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Quantum critical scaling in the disordered itinerant ferromagnet UCo 1-x Fe x Ge

The Belitz-Kirkpatrick-Vojta (BKV) theory shows in excellent agreement with experiment that ferromagnetic quantum phase transitions (QPTs) in clean metals are generally first order due to the coupling of the magnetization to electronic soft modes, in contrast to the classical analogue that is an archetypical second-order phase transition. For disordered metals the BKV theory predicts that the secondorder nature of the QPT is restored because the electronic soft modes change their nature from ballistic to diffusive. Lastly, our low-temperature magnetization study identifies the ferromagnetic QPT in the disordered metal UCo 1$-$x Fe x Ge as the first clear example that exhibits the associated critical exponents predicted by the BKV theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Ferromagnetism and Charge Order from a Frozen Electron Configuration in Strained Epitaxial LaCoO 3

Here, we report ordering of the cobalt electron configuration in ferromagnetic strained epitaxial LaCoO 3 . Specifically, the presence of charge order is demonstrated from distinct features of the resonant cobalt contribution to superstructure reflections. Density functional theory calculations show that the observed order is consistent with the spin-state periodicity predicted to give rise to ferromagnetism in LaCoO 3 . Through the modification of symmetry by strain, concurrent frozen charge and spin-state order are stabilized, giving rise to long-range magnetic order.

74 ATOMIC AND MOLECULAR PHYSICS↗