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S. B. Dugdale

Publications and source records attributed to S. B. Dugdale.

35 records · Page 2Linked to original sources
arXiv2009

Bulk Spin Polarization of Co$_{(1-x)}$Fe$_x$S$_2$

We report on a new method to determine the degree of bulk spin polarization in single crystal Co$_{(1-x)}$Fe$_x$S$_2$ by modeling magnetic Compton scattering with {\it ab initio} calculations. Spin-dependent Compton profiles were measured for CoS$_2$ and Co$_{0.9}$Fe$_{0.1}$S$_2$. The {\it ab initio} calculations were then refined by rigidly shifting the bands to provide the best fit between the calculated and experimental directional profiles for each sample. The bulk spin polarizations, $P$, corresponding to the spin-polarized density of states at the Fermi level, were then extracted from the {\it refined} calculations. The values were found to be $P=-72 \pm 6 %$ and $P=18 \pm 7%$ for CoS$_2$ and Co$_{0.9}$Fe$_{0.1}$S$_2$ respectively. Furthermore, determinations of $P$ weighted by the Fermi velocity ($v_F$ or $v_F^2$) were obtained, permitting a rigorous comparison with other experimental data and highlighting the experimental dependence of $P$ on $v_F$.

cond-mat.str-el↗
arXiv2009

The electronic structure of {\em R}NiC$_2$ intermetallic compounds

First-principles calculations of the electronic structure of members of the $R$NiC$_2$ series are presented, and their Fermi surfaces investigated for nesting propensities which might be linked to the charge-density waves exhibited by certain members of the series ($R$ = Sm, Gd and Nd). Calculations of the generalized susceptibility, $χ_{0}({\bf q},ω)$, show strong peaks at the same ${\bf q}$-vector in both the real and imaginary parts for these compounds. Moreover, this peak occurs at a wavevector which is very close to that experimentally observed in SmNiC$_2$. In contrast, for LaNiC$_2$ (which is a superconductor below 2.7K) as well as for ferromagnetic SmNiC$_2$, there is no such sharp peak. This could explain the absence of a charge-density wave transition in the former, and the destruction of the charge-density wave that has been observed to accompany the onset of ferromagnetic order in the latter.

cond-mat.str-el↗
arXiv2008

Vacancy defect positron lifetimes in strontium titanate

The results of positron annihilation lifetime spectroscopy measurements on undoped, electron irradiated, and Nb doped SrTiO3 single crystals are reported. Perfect lattice and vacancy defect positron lifetimes were calculated using two different first-principles schemes. The Sr vacancy defect related positron lifetime was obtained from measurements on Nb doped, electron irradiated, and vacuum annealed samples. Undoped crystals showed a defect lifetime component dominated by trapping to Ti vacancy related defects.

cond-mat.mtrl-sci↗
arXiv2008

De Haas-van Alphen oscillations in the charge-density wave compound lanthanum tritelluride (LaTe_3)

De Haas-van Alphen oscillations were measured in lanthanum tritelluride (LaTe_3) to probe the partially gapped Fermi surface resulting from charge density wave (CDW) formation. Three distinct frequencies were observed, one of which can be correlated with a FS sheet that is unaltered by CDW formation. The other two frequencies arise from FS sheets that have been reconstructed in the CDW state.

cond-mat.str-el↗
arXiv2007

Charge density wave formation in $R_{2}$Te$_{5}$ ($R$=Nd, Sm and Gd)

The rare earth ($R$) tellurides $R_2$Te$_5$ have a crystal structure intermediate between that of $R$Te$_2$ and $R$Te$_3$, consisting of alternating single and double Te planes sandwiched between $R$Te block layers. We have successfully grown single crystals of Nd$_2$Te$_5$, Sm$_2$Te$_5$ and Gd$_2$Te$_5$ from a self flux, and describe here the first evidence for charge density wave formation in these materials. The superlattice patterns for all three compounds are relatively complex, consisting at room temperature of at least two independent wavevectors. Consideration of the electronic structure indicates that to a large extent these wave vectors are separately associated with sheets of the Fermi surface which are principally derived from the single and double Te layers.

cond-mat.str-el↗
arXiv2007

Effect of Chemical Pressure on the Charge Density Wave Transition in Rare-earth Tritellurides RTe_3

The charge density wave transition is investigated in the bi-layer family of rare earth tritelluride RTe_3 compounds (R = Sm, Gd, Tb, Dy, Ho, Er, Tm) via high resolution x-ray diffraction and electrical resistivity. The transition temperature increases monotonically with increasing lattice parameter from 244(3) K for TmTe_3 to 416(3) K for SmTe_3. The heaviest members of the series, R = Dy, Ho, Er, Tm, are observed to have a second transition at a lower temperature, which marks the onset of an additional CDW with wavevector almost equal in magnitude to the first, but oriented in the perpendicular direction.

cond-mat.str-el↗
arXiv2007

Elliptical hole pockets in the Fermi surfaces of unhydrated and hydrated sodium cobalt oxides

The surprise discovery of superconductivity below 5K in sodium cobalt oxides when hydrated with water has caught the attention of experimentalists and theorists alike. Most explanations for its occurence have focused heavily on the properties of some small elliptically shaped pockets predicted to be the electronically dominant Fermi surface sheet, but direct attempts to look for them have instead cast serious doubts over their existence. Here we present evidence that these pockets do indeed exist, based on bulk measurements of the electron momentum distribution in unhydrated and hydrated sodium cobalt oxides using the technique of x-ray Compton scattering.

cond-mat.supr-con↗
arXiv2006

Observation of a strongly nested Fermi surface in the shape-memory alloy Ni[0.62]Al[0.38]

The Fermi surface topology of the shape-memory alloy Ni[0.62]Al[0.38] has been determined using Compton scattering. A large area of this Fermi surface can be made to nest with other areas by translation through a vector of ~ 0.18 [1,1,0] (2pi/a), which correponds to the wavevector associated with martensitic precursor phenomena such as phonon softening and diffuse streaking in electron diffraction patterns. This observation is compelling evidence that these phenomena are driven by the enhanced electron-lattice coupling due to the Fermi surface nesting.

cond-mat.mtrl-sci↗
arXiv2005

Fermi surface nesting and charge-density wave formation in rare-earth tritellurides

The Fermi surface of rare-earth tri-tellurides ({\it R}Te$_{3}$) is investigated in terms of the nesting driven charge-density wave formation using positron annihilation and first-principles LMTO calculations. Fermi surface nesting is revealed as a strong candidate for driving charge-density wave formation in these compounds. The nesting vector obtained from positron annihilation experiments on GdTe$_{3}$ is determined to be ${\mathbf q} = (0.28\pm0.02,0,0) {\mathbf a}^{*}$, (${\mathbf a}^{*}=2π/{\mathbf a}$), in excellent agreement with previous experimental and theoretical studies.

cond-mat.str-el↗
arXiv2004

The Fermi Surface Effect on Magnetic Interlayer Coupling

The oscillating magnetic interlayer coupling of Fe over spacer layers consisting of Cu$_{x}$Pd$_{1-x}$ alloys is investigated by first principles density functional theory. The amplitude, period and phase of the coupling, as well as the disorder-induced decay, are analyzed in detail and the consistency to the Ruderman-Kittel-Kasuya-Yoshida (RKKY) theory is discussed. For the first time an effect of the Fermi surface nesting strength on the amplitude is established from first principles calculations. An unexpected variation of the phase and disorder-induced decay is obtained and the results are discussed in terms of asymptotics.

cond-mat.mtrl-sci↗
arXiv2002

Heavy quasiparticles in the ferromagnetic superconductor ZrZn2

We report a study of the de Haas-van Alphen effect in the normal state of the ferromagnetic superconductor ZrZn2. Our results are generally consistent with an LMTO band structure calculation which predicts four exchange-split Fermi surface sheets. Quasiparticle effective masses are enhanced by a factor of about 4.9 implying a strong coupling to magnetic excitations or phonons. Our measurements provide insight in to the mechanism for superconductivity and unusual thermodynamic properties of ZrZn2.

cond-mat.supr-con↗
arXiv2001

Longitudinal spin-fluctuations and superconductivity in ferromagnetic ZrZn$_{2}$ from ab initio calculations

The recent discovery of superconductivity coexisting with weak itinerant ferromagnetism in the $d$-electron intermetallic compound ZrZn$_{2}$ strongly suggests spin-fluctuation mediated superconductivity. {\it Ab initio} electronic structure calculations of the Fermi surface and generalized susceptibilities are performed to investigate the viability of longitudinal spin-fluctuation-induced spin-triplet superconductivity in the ferromagnetic state. The critical temperature is estimated to be of the order of 1 K. Additionally, it is shown that in spite of a strong electron-phonon coupling ($λ_{ph}=0.7$), conventional s-wave superconductivity is inhibited by the presence of strong spin-fluctuations.

cond-mat.supr-con↗
arXiv2001

Electronic structure, magnetism and superconductivity of MgCNi$_{3}$

The electronic structure of the newly discovered superconducting perovskite MgCNi$_3$ is calculated using the LMTO and KKR methods. The states near the Fermi energy are found to be dominated by Ni-d. The Stoner factor is low while the electron-phonon coupling constant is estimated to be about 0.7, which suggests that the material is a conventional type of superconductor where T$_C$ is not affected by magnetic interactions. However, the proximity of the Fermi energy to a large peak in the density of states in conjunction with the reported non-stoichiometry of the compound, has consequences for the stability of the results.

cond-mat.supr-con↗
arXiv1999

Nesting properties and anisotropy of the Fermi surface of LuNi$_{2}$B$_{2}$C

The rare earth nickel borocarbides, with the generic formula $R$Ni$_{2}$B$_{2}$C, have recently been shown to display a rich variety of phenomena. Most striking has been the competition between, and even coexistence of, antiferromagnetism and superconductivity. We have measured the Fermi surface (FS) of LuNi$_{2}$B$_{2}$C, and shown that it possesses nesting features capable of explaining some of the phenomena experimentally observed. In particular, it had previously been conjectured that a particular sheet of FS is responsible for the modulated magnetic structures manifest in some of the series. We report the first direct experimental observation of this sheet.

cond-mat↗
arXiv1999

Induced spin polarisation in a ferromagnetic gadolinium-yttrium alloy

The first direct evidence of an induced spin moment in Gd(62.4)Y(37.6) is presented. This additional moment, of 0.16 +/- 0.03 Bohr magnetons, arises from polarisation of Y electrons in the alloy. The moment was detected in a Compton scattering experiment via the measurement of the one dimensional projection of the momentum space electron spin density in Gd and in the alloy. The result is consistent with theoretical predictions calculated using the LMTO method within the local spin density approximation.

cond-mat↗
arXiv1998

Fermi surface of the colossal magnetoresistance perovskite La_{0.7}Sr_{0.3}MnO_{3}

Materials that exhibit colossal magnetoresistance (CMR) are currently the focus of an intense research effort, driven by the technological applications that their sensitivity lends them to. Using the angular correlation of photons from electron-positron annihilation, we present a first glimpse of the Fermi surface of a material that exhibits CMR, supported by ``virtual crystal'' electronic structure calculations. The Fermi surface is shown to be sufficiently cubic in nature that it is likely to support nesting.

cond-mat.str-el↗