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D. C. Johnston

Publications and source records attributed to D. C. Johnston.

At least 91 records · Page 5Linked to original sources

Elaboration of the alpha-Model Derived from the BCS Theory of Superconductivity

The single-band alpha-model of superconductivity [H. Padamsee, et al., J. Low Temp. Phys. {\bf 12}, 387 (1973)] is a popular model that was adapted from the single-band Bardeen-Cooper-Schrieffer (BCS) theory of superconductivity mainly to allow fits to electronic heat capacity versus temperature T data that deviate from the BCS prediction. The model assumes that the normalized superconducting order parameter Delta(T)/Delta(0) and therefore the normalized London penetration depth lambda_L(T)/lambda_L(0) are the same as in BCS theory, calculated using the BCS value alpha_BCS = 1.764 of alpha = Delta(0)/(kB Tc), where kB is Boltzmann's constant and Tc is the superconducting transition temperature. On the other hand, to calculate the electronic free energy, entropy, heat capacity and thermodynamic critical field versus T, the alpha-model takes alpha to be an adjustable parameter. Here we write the BCS equations and limiting behaviors for the superconducting state thermodynamic properties explicitly in terms of alpha, as needed for calculations within the alpha-model, and present plots of the results versus T and alpha that are compared with the respective BCS predictions. Mechanisms such as gap anisotropy and strong coupling that can cause deviations of the thermodynamics from the BCS predictions, especially the heat capacity jump at Tc, are considered. Extensions of the alpha-model that have appeared in the literature such as the two-band model are also discussed. Tables of values of Delta(T)/Delta(0) and lambda_L(T)/lambda_L(0) calculated from the BCS theory using alpha = alpha_BCS are provided, which are the same in the alpha-model by assumption. Tables of values of the entropy, heat capacity and thermodynamic critical field versus T for seven values of alpha including alpha_BCS are also presented.

cond-mat.supr-con↗

Persistence of local-moment antiferromagnetic order in Ba(1-x)KxMn2As2

BaMn2As2 is a local-moment antiferromagnetic insulator with a Néel temperature of 625 K and a large ordered moment of 3.9 Bohr magneton per Mn. Remarkably, this compound can be driven metallic by the substitution of as little as 1.6% K for Ba while retaining essentially the same ordered magnetic moment and Néel temperature, as previously reported. Here, using both powder and single crystal neutron diffraction we show that the local moment antiferromagnetic order in Ba(1-x)KxMn2As2 remains robust up to x = 0.4. The ordered moment is nearly independent of x for 0 < x < 0.4 and the Néel transition temperature decreases to 480 K at x = 0.4.

cond-mat.supr-con↗

Observation of a Phase Transition at 55 K in Single-Crystal CaCu1.7As2

We present the structural, magnetic, thermal and ab-plane electronic transport properties of single crystals of CaCu1.7As2 grown by the self-flux technique that were investigated by powder x-ray diffraction, magnetic susceptibility chi, isothermal magnetization M, specific heat Cp, and electrical resistivity rho measurements as a function of temperature T and magnetic field H. X-ray diffraction analysis of crushed crystals at room temperature confirm the collapsed tetragonal ThCr2Si2-type structure with \sim 15% vacancies on the Cu sites as previously reported, corresponding to the composition CaCu1.7As2. The chi(T) data are diamagnetic, anisotropic and nearly independent of T. The chi is larger in the ab-plane than along the c-axis, as also observed previously for SrCu2As2 and for pure and doped BaFe2As2. The Cp(T) and rho(T) data indicate metallic sp-band character. In contrast to the chi(T) and Cp(T) data that do not show any evidence for phase transitions below 300 K, the rho(T) data exhibit a sharp increase in slope on cooling below a temperature Tt = 54-56 K, depending on the crystal. The ρ(T) data show no hysteresis on warming and cooling through Tt and the transition appears to be second order. The phase transition may arise from spatial ordering of the vacancies on the Cu sublattice. The Tt is found to be independent of H for H \leq 8 T. A positive magnetoresistance is observed below Tt that increases with decreasing T and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.

cond-mat.supr-con↗

Antiferromagnetism in EuNiGe3

The synthesis and crystallographic and physical properties of polycrystalline EuNiGe3 are reported. EuNiGe3 crystallizes in the noncentrosymmetric body-centered tetragonal BaNiSn3-type structure. The physical property data consistently demonstrate that this is a metallic system in which Eu spins S = 7/2 order antiferromagnetically at a temperature TN = 13.6 K. Magnetic susceptibility chi data for T > TN indicate that the Eu atoms have spin 7/2 with g = 2, that the Ni atoms are nonmagnetic, and that the dominant interactions between the Eu spins are ferromagnetic. Thus we propose that EuNiGe3 has a collinear A-type antiferromagnetic structure. A fit of chi(T < TN) by our molecular field theory is consistent with a collinear magnetic structure. Electrical resistivity rho data from TN to 350 K are fitted by the Bloch-Gruneisen model for electron-phonon scattering, yielding a Debye temperature of 265(2) K. A strong decrease in rho occurs below TN due to loss of spin-disorder scattering. Heat capacity data at 25 K < T < 300 K are fitted by the Debye model, yielding the same Debye temperature 268(2) K as found from rho(T). The extracted magnetic heat capacity is consistent with S = 7/2. The magnetic entropy at TN = 13.6 K is 83% of the expected asymptotic high-T value, with the remainder recovered by 30 K.

cond-mat.str-el↗

Crystal Growth and Physical Properties of SrCu2As2, SrCu2Sb2 and BaCu2Sb2

We report the growth of single crystals of SrCu2As2, SrCu2Sb2, SrCu2(As{0.84}Sb{0.16})2 and BaCu2Sb2 using the self-flux technique and their structural, magnetic, thermal and transport properties that were investigated by powder x-ray diffraction (XRD), magnetic susceptibility chi, specific heat Cp and electrical resistivity rho measurements versus temperature T from 1.8 to 350 K. Rietveld refinements of XRD patterns for crushed crystals confirm that SrCu2As2 crystallizes in the ThCr2Si2-type structure and SrCu2Sb2 crystallizes in the CaBe2Ge2-type structure. However, BaCu2Sb2 is found to have a large unit cell consisting of three blocks. Here a ThCr2Si2-type block is sandwiched between two CaBe2Ge2-type blocks along the c-axis, as reported, but likely with a monoclinic distortion. The chi data of all these compounds are diamagnetic and reveal nearly T-independent anisotropic behavior. The finite values of the Sommerfeld linear specific heat coefficients gamma and the T dependences of rho reveal metallic character of all four compounds. The electronic and magnetic properties indicate that these compounds are sp metals with Cu in the 3d^{10} electronic configuration corresponding to the oxidation state Cu^{+1}, as previously predicted theoretically for (Sr,Ba)Cu2As2 by D. J. Singh. We find that SrCu2As2 has a collapsed-tetragonal structure. The electronic character of the Cu and the strength of the As-As interlayer bonding are both expected to drastically change between weakly Cu-substituted BaFe2As and pure BaCu2As2.

cond-mat.supr-con↗

Magnetic Susceptibility of Collinear and Noncollinear Heisenberg Antiferromagnets

Predictions of the anisotropic magnetic susceptibility chi below the antiferromagnetic (AFM) ordering temperatures TN of local moment Heisenberg AFMs have been made previously using molecular field theory (MFT) but are very limited in their applicability. Here a MFT calculation of chi(T<=TN) is presented for a wide variety of collinear and noncollinear Heisenberg AFMs containing identical crystallographically equivalent spins without recourse to magnetic sublattices. The results are expressed in terms of directly measurable experimental parameters and are fitted with no adjustable parameters to experimental chi(T<=TN) data from the literature for several collinear and noncollinear AFMs. The influence of spin correlations and fluctuations beyond MFT is quantified by the deviation of the theory from the data. The origin of the universal chi(T<=TN) observed for triangular lattice AFMs exhibiting coplanar noncollinear 120 degree AFM ordering is clarified.

cond-mat.str-el↗

Structural, Thermal, Magnetic and Electronic Transport Properties of the LaNi2(Ge{1-x}P{x})2 System

Polycrystalline samples of LaNi2(Ge{1-x}P{x})2 (x = 0, 0.25, 0.50, 0.75, 1) were synthesized and their properties investigated by x-ray diffraction (XRD), heat capacity Cp, magnetic susceptibility chi, and electrical resistivity rho measurements versus temperature T. These compounds all crystallize in the body-centered-tetragonal ThCr2Si2-type structure. The rho(T) measurements indicate that all compositions in this system are metallic. The low-T Cp measurements yield a rather large Sommerfeld coefficient gamma = 12.4(2) mJ/mol K^2 for x = 0 reflecting a large density of states at the Fermi energy that is comparable with the largest values found for the AFe2As2 class of materials with the same crystal structure. The gamma decreases approximately linearly with x to 7.4(1) mJ/mol K^2 for x = 1. The chi measurements show nearly temperature-independent paramagnetic behavior across the entire range of compositions except for LaNi2Ge2, where a broad peak is observed at 300 K from chi(T) measurements up to 1000 K that may arise from short-range antiferromagnetic correlations in a quasi-two-dimensional magnetic system. High-accuracy Pade approximants representing the Debye lattice heat capacity and Bloch-Gruneisen electron-phonon resistivity functions versus T are presented and are used to analyze our experimental Cp(T) and rho(T) data, respectively. The T-dependences of rho for all samples are well-described by the Bloch-Gruneisen model, although the observed rho(300 K) values are larger than calculated from this model. A significant T-dependence of the Debye temperature determined from the Cp(T) data was observed for each composition. No clear evidence for bulk superconductivity or any other long-range phase transition was found for any of the compositions studied.

cond-mat.supr-con↗

Ba{1-x}KxMn2As2: An Antiferromagnetic Local-Moment Metal

The compound BaMn2As2 with the tetragonal ThCr2Si2 structure is a local-moment antiferromagnetic insulator with a Neel temperature TN = 625 K and a large ordered moment mu = 3.9 mu_B/Mn. We demonstrate that this compound can be driven metallic by partial substitution of Ba by K, while retaining the same crystal and antiferromagnetic structures together with nearly the same high TN and large mu. Ba_{1-x}K_xMn2As2 is thus the first metallic ThCr2Si2-type MAs-based system containing local 3d transition metal M magnetic moments, with consequences for the ongoing debate about the local moment versus itinerant pictures of the FeAs-based superconductors and parent compounds. The Ba_{1-x}K_xMn2As2 class of compounds also forms a bridge between the layered iron pnictides and cuprates and may be useful to test theories of high Tc superconductivity.

cond-mat.supr-con↗

Experimental and theoretical electronic structure of EuRh2As2

The Fermi surfaces (FS's) and band dispersions of EuRh2As2 have been investigated using angle-resolved photoemission spectroscopy. The results in the high-temperature paramagnetic state are in good agreement with the full potential linearized augmented plane wave calculations, especially in the context of the shape of the two-dimensional FS's and band dispersion around the Gamma (0,0) and X (pi,pi) points. Interesting changes in band folding are predicted by the theoretical calculations below the magnetic transition temperature Tn=47K. However, by comparing the FS's measured at 60K and 40K, we did not observe any signature of this transition at the Fermi energy indicating a very weak coupling of the electrons to the ordered magnetic moments or strong fluctuations. Furthermore, the FS does not change across the temperature (~ 25K) where changes are observed in the Hall coefficient. Notably, the Fermi surface deviates drastically from the usual FS of the superconducting iron-based AFe2As2 parent compounds, including the absence of nesting between the Gamma and X FS pockets.

cond-mat.supr-con↗

Magnetic Exchange Interactions in BaMn2As2: A Case Study of the J1-J2-Jc Heisenberg Model

BaMn2As2 is unique among BaT2As2 compounds crystallizing in the body-centered-tetragonal ThCr2Si2 structure, which contain stacked square lattices of 3d transition metal T atoms, since it has an insulating large-moment (3.9 muB/Mn) G-type (checkerboard) antiferromagnetic AF ground state. We report measurements of the anisotropic magnetic susceptibility chi versus temperature T from 300 to 1000 K of single crystals of BaMn2As2, and magnetic inelastic neutron scattering measurements at 8 K and 75As NMR measurements from 4 to 300 K of polycrystalline samples. The Neel temperature determined from the chi(T) measurements is TN = 618(3) K. The measurements are analyzed using the J1-J2-Jc Heisenberg model. Linear spin wave theory for G-type AF ordering and classical and quantum Monte Carlo simulations and molecular field theory calculations of chi(T) and of the magnetic heat capacity Cmag(T) are presented versus J1, J2 and Jc. We also obtain band theoretical estimates of the exchange couplings in BaMn2As2. From analyses of our chi(T), NMR, neutron scattering, and previously published heat capacity data for BaMn2As2 on the basis of the above theories for the J1-J2-Jc Heisenberg model and our band-theoretical results, our best estimates of the exchange constants in BaMn2As2 are J1 = 13 meV, J2/J1 = 0.3 and Jc/J1 = 0.1, which are all antiferromagnetic. From our classical Monte Carlo simulations of the G-type AF ordering transition, these exchange parameters predict TN = 640 K for spin S = 5/2, in close agreement with experiment. Using spin wave theory, we also utilize these exchange constants to estimate the suppression of the ordered moment due to quantum fluctuations for comparison with the observed value and again obtain S = 5/2 for the Mn spin.

cond-mat.str-el↗

Large Miscibility Gap in the Ba(Mn_xFe_{1-x})2As2 System

The compounds BaMn2As2 and BaFe2As2 both crystallize in the body-centered-tetragonal ThCr2Si2-type (122-type) structure at room temperature but exhibit quite different unit cell volumes and very different magnetic and electronic transport properties. Evidently reflecting these disparities, we have discovered a large miscibility gap in the system Ba(Mn_xFe_{1-x})2As2. Rietveld refinements of powder x-ray diffraction (XRD) measurements on samples slow-cooled from 1000 C to room temperature (RT) reveal a two-phase mixture of BaMn2As2 and Ba(Mn_{0.12}Fe_{0.88})2As2 phases together with impurity phases for x = 0.2, 0.4, 0.5, 0.6 and 0.8. We infer that there exists a miscibility gap in this system at 300 K with composition limits 0.12 < x < 1. For samples quenched from 1000 C to 77 K, the refinements of RT XRD data indicate that the miscibility gap at RT narrows at 1000 C to 0.2 < x < 0.8. Samples with x=0.4, 0.5 and 0.6 quenched from 1100-1400 C to 77 K contain a single 122-type phase together with significant amounts of Fe_{1-x}Mn_xAs and FeAs2 impurity phases. These results indicate that the system is not a pseudo-binary system over the whole composition range and that the 122-type phase has a significant homogeneity range at these temperatures. Magnetic susceptibility, electrical resistivity and heat capacity measurements versus temperature of the single-phase quenched polycrystalline samples with x = 0.2 and 0.8 and for lightly doped BaMn2As2 crystals are reported.

cond-mat.supr-con↗

Phase separation and frustrated square lattice magnetism of Na1.5VOPO4F0.5

Crystal structure, electronic structure, and magnetic behavior of the spin-1/2 quantum magnet Na1.5VOPO4F0.5 are reported. The disorder of Na atoms leads to a sequence of structural phase transitions revealed by synchrotron x-ray powder diffraction and electron diffraction. The high-temperature second-order alpha <--> beta transition at 500 K is of the order-disorder type, whereas the low-temperature beta <--> gamma+gamma' transition around 250 K is of the first order and leads to a phase separation toward the polymorphs with long-range (gamma) and short-range (gamma') order of Na. Despite the complex structural changes, the magnetic behavior of Na1.5VOPO4F0.5 probed by magnetic susceptibility, heat capacity, and electron spin resonance measurements is well described by the regular frustrated square lattice model of the high-temperature alpha-polymorph. The averaged nearest-neighbor and next-nearest-neighbor couplings are J1 ~ -3.7 K and J2 ~ 6.6 K, respectively. Nuclear magnetic resonance further reveals the long-range ordering below TN = 2.6 K in low magnetic fields. Although the experimental data are consistent with the simplified square-lattice description, band structure calculations suggest that the ordering of Na atoms introduces a large number of inequivalent exchange couplings that split the square lattice into plaquettes. Additionally, the direct connection between the vanadium polyhedra induces an unusually strong interlayer coupling having effect on the transition entropy and the transition anomaly in the specific heat. Peculiar features of the low-temperature crystal structure and the relation to isostructural materials suggest Na1.5VOPO4F0.5 as a parent compound for the experimental study of tetramerized square lattices as well as frustrated square lattices with different values of spin.

cond-mat.mtrl-sci↗

Synthesis, Structure and Properties of Tetragonal Sr2M3As2O2 (M3 = Mn3, Mn2Cu and MnZn2) Compounds Containing Alternating CuO2-Type and FeAs-Type Layers

Polycrystalline samples of Sr2Mn2CuAs2O2, Sr2Mn3As2O2, and Sr2Zn2MnAs2O2 were synthesized. Their temperature- and applied magnetic field-dependent structural, transport, thermal, and magnetic properties were characterized by means of x-ray and neutron diffraction, electrical resistivity rho, heat capacity, magnetization and magnetic susceptibility measurements. These compounds have a body-centered-tetragonal crystal structure (space group I4/mmm) that consists of MO2 (M = Zn and/or Mn) oxide layers similar to the CuO2 layers in high superconducting transition temperature Tc cuprate superconductors, and intermetallic MAs (M = Cu and/or Mn) layers similar to the FeAs layers in high-Tc pnictides. These two types of layers alternate along the crystallographic c-axis and are separated by Sr atoms. The site occupancies of Mn, Cu and Zn were studied using Rietveld refinements of x-ray and neutron powder diffraction data. The temperature dependences of rho suggest metallic character for Sr2Mn2CuAs2O2 and semiconducting character for Sr2Mn3As2O2 and Sr2Zn2MnAs2O2. Sr2Mn2CuAs2O2 is inferred to be a ferrimagnet with a Curie temperature TC = 95(1) K. Remarkably, we find that the magnetic ground state structure changes from a G-type antiferromagnetic structure in Sr2Mn3As2O2 to an A-type ferrimagnetic structure in Sr2Mn2CuAs2O2 in which the Mn ions in each layer are ferromagnetically aligned, but are antiferromagnetically aligned between layers.

cond-mat.supr-con↗

Structure and magnetic, thermal, and electronic transport properties of single crystal EuPd2Sb2

Single crystals of EuPd2Sb2 have been grown from PdSb self-flux. The properties of the single crystals have been investigated by x-ray diffraction, magnetic susceptibility chi, magnetization M, electrical resistivity rho, Hall coefficient R_H, and heat capacity Cp measurements versus temperature T and magnetic field H. Single crystal x-ray diffraction studies confirmed that EuPd2Sb2 crystallizes in the CaBe2Ge2-type structure. The chi(T) measurements suggest antiferromagnetic ordering at 6.0 K with the easy axis or plane in the crystallographic ab plane. An additional transition occurs at 4.5 K that may be a spin reorientation transition. The Cp(T) data also show the two transitions at 6.1 K and 4.4 K, respectively, indicating the bulk nature of the transitions. The 4.4 K transition is suppressed below 1.8 K while the 6.1 K transition moves down to 3.3 K in H = 8 T. The rho(T) data show metallic behavior down to 1.8 K along with an anomaly at 5.5 K in zero field. The anomaly is suppressed to 2.7 K in an 8 T field. The R_H measurements indicated that the dominant charge carriers are electrons. The M(H) isotherms show three field-induced transitions at 2.75 T, 3.90 T, and 4.2 T magnetic fields parallel to the ab plane at 1.8 K. No transitions are observed in M(H) for fields parallel to the c axis.

cond-mat.supr-con↗

Single Crystal 31P NMR Studies of the Frustrated Square Lattice Compound Pb2(VO)(PO4)2

The static and dynamic properties of V^{4+} spins (S = 1/2) in the frustrated square lattice compound Pb2(VO)(PO4)2 were investigated by means of magnetic susceptibility chi and 31P nuclear magnetic resonance (NMR) shift (K) and 31P nuclear spin-lattice relaxation rate 1/T1 measurements on a single crystal. This compound exhibits long-range antiferromagnetic order below TN \simeq 3.65 K. NMR spectra above TN show two distinct lines corresponding to two inequivalent P sites present in the crystal structure. The observed asymmetry in hyperfine coupling constant for the in-plane (P1) P site directly points towards a distortion in the square lattice at the microscopic level, consistent with the monoclinic crystal structure. The nearest- and next-nearest-neighbor exchange couplings were estimated to be J1/kB = (-5.4 \pm 0.5) K (ferromagnetic) and J2/kB = (9.3 \pm 0.6) K (antiferromagnetic), respectively. 1/(T1 T chi) is almost T-independent at high temperatures due to random fluctuation of spin moments. Below 20 K, the compound shows an enhancement of 1/(T1 T chi) which arises from a growth of antiferromagnetic spin correlations above TN. Below TN and for the field applied along the c-axis, the NMR spectrum for the P1 site splits into two satellites and the spacing between them increases monotonically with decreasing T which is a direct evidence of a columnar antiferromagnetic ordering with spins lying in the ab-plane. This type of magnetic ordering is consistent with expectation from the J2/J1 \simeq -1.72 ratio. The critical exponent beta = 0.25 \pm 0.02 estimated from the temperature dependence of sublattice magnetization as measured by 31P NMR at 11.13 MHz is close to the value (0.231) predicted for the two-dimensional XY model.

cond-mat.str-el↗

Magnetic, Thermal, and Transport Properties of the Mixed Valent Vanadium Oxides LuV4O8 and YV4O8

LV4O8 (L = Yb, Y, Lu) compounds are reported to crystallize in a structure similar to that of the orthorhombic CaFe2O4 structure-type, and contain four inequivalent V sites arranged in zigzag chains. We confirm the structure and report the magnetic, thermal, and transport properties of polycrystalline YV4O8 and LuV4O8. A first-order like phase transition is observed at 50 K in both YV4O8 and LuV4O8. The symmetry remains the same with the lattice parameters changing discontinously. The structural transition in YV4O8 leads to partial dimerization of the V atoms resulting in a sudden sharp drop in the magnetic susceptibility. The V spins that do not form dimers order in a canted antiferromagnetic state. The magnetic susceptibility of LuV4O8 shows a sharp peak at ~ 50 K. The magnetic entropies calculated from heat capacity versus temperature measurements indicate bulk magnetic transitions below 90 K for both YV4O8 and LuV4O8.

cond-mat.str-el↗

Nature of the Magnetic Order in BaMn2As2

Neutron diffraction measurements have been performed on a powder sample of BaMn2As2 over the temperature T range from 10 K to 675 K. These measurements demonstrate that this compound exhibits collinear antiferromagnetic ordering below the Neel temperature T_N = 625(1) K. The ordered moment mu = 3.88(4) mu_B/Mn at T = 10 K is oriented along the c axis and the magnetic structure is G-type, with all nearest-neighbor Mn moments antiferromagnetically aligned. The value of the ordered moment indicates that the oxidation state of Mn is Mn^{2+} with a high spin S = 5/2. The T dependence of mu suggests that the magnetic transition is second-order in nature. In contrast to the closely related AFe2As2 (A = Ca, Sr, Ba, Eu) compounds, no structural distortion is observed in the magnetically ordered state of BaMn2As2.

cond-mat.supr-con↗

Magnetic, Thermal, and Transport Properties of Layered Arsenides BaRu2As2 and SrRu2As2

The magnetic, thermal and transport properties of polycrystalline BaRu2As2 and SrRu2As2 samples with the ThCr2Si2 structure were investigated by means of magnetic susceptibility chi(T), electrical resistivity rho(T), and heat capacity Cp(T) measurements. The temperature (T) dependence of rho indicates metallic character for both compounds with residual resistivity ratios rho(310 K)/rho(2 K) of 17 and 5 for the Ba and Sr compounds, respectively. The Cp(T) results reveal a low-T Sommerfeld coefficient gamma = 4.9(1) and 4.1(1) mJ/mol K^2 and Debye temperature Θ_D = 271(7) K and 271(4) K for the Ba and Sr compounds, respectively. The chi (T) was found to be diamagnetic with a small absolute value for both compounds. No transitions were found for BaRu2As2 above 1.8 K. The chi(T) data for SrRu2As2 exhibit a cusp at \sim 200 K, possibly an indication of a structural and/or magnetic transition. We discuss the properties of BaRu2As2 and SrRu2As2 in the context of other ThCr2Si2-type and ZrCuSiAs-type transition metal pnictides.

cond-mat.supr-con↗