| 1. |
- Abou-Hamad, E., et al.
(author)
-
Structural properties of carbon nanotubes derived from (13)C NMR
- 2011
-
In: Physical Review B. Condensed Matter and Materials Physics. - College Park, Md. : American Physical Society. - 1098-0121 .- 1550-235X. ; 84:16, s. 165417-
-
Journal article (peer-reviewed)abstract
- We present a detailed experimental and theoretical study on how structural properties of carbon nanotubes can be derived from 13C NMR investigations. Magic angle spinning solid state NMR experiments have been performed on single-and multiwalled carbon nanotubes with diameters in the range from 0.7 to 100 nm and with number of walls from 1 to 90. We provide models on how diameter and the number of nanotube walls influence NMR linewidth and line position. Both models are supported by theoretical calculations. Increasing the diameter D, from the smallest investigated nanotube, which in our study corresponds to the inner nanotube of a double-walled tube to the largest studied diameter, corresponding to large multiwalled nanotubes, leads to a 23.5 ppm diamagnetic shift of the isotropic NMR line position d. We show that the isotropic line follows the relation d = 18.3/D + 102.5 ppm, where D is the diameter of the tube and NMR line position d is relative to tetramethylsilane. The relation asymptotically tends to approach the line position expected in graphene. A characteristic broadening of the line shape is observed with the increasing number of walls. This feature can be rationalized by an isotropic shift distribution originating from different diamagnetic shielding of the encapsulated nanotubes together with a heterogeneity of the samples. Based on our results, NMR is shown to be a nondestructive spectroscopic method that can be used as a complementary method to, for example, transmission electron microscopy to obtain structural information for carbon nanotubes, especially bulk samples.
|
|
| 2. |
- Andersson, Britt M., et al.
(author)
-
Thermal conductivity of polycrystalline YBa2Cu4O8
- 1994
-
In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 49:6, s. 4189-4198
-
Journal article (peer-reviewed)abstract
- We have measured the thermal conductivity κ and the thermal diffusivity a of a dense bulk ceramic polycrystalline sample of YBa2Cu4O8 (1:2:4) in the temperature range 30–300 K. We find κ≊10 W m-1 K-1 at 100 K, significantly higher than in ceramic YBa2Cu3O7-δ (1:2:3) and approaching the in-plane value for single-crystal 1:2:3, and decreasing to 7.6 W m-1 K-1 at 300 K. The data for this sample can be described by standard theories for phonon thermal conductivity of crystalline materials with boundary, phonon, and electron scattering. The higher κ in 1:2:4 as compared to 1:2:3 is, in this model, due to the smaller point defect scattering in the former. The fitted parameters for the three scattering mechanisms all agree with independent estimates based on simple models; inserting data for electric resistivity, grain size, carrier density, and lattice properties we can predict κ and its T dependence to within about 20%. We also discuss models for the phonon and electron thermal conductivities in some detail, including some second-order effects such as inelastic electron scattering and a T-dependent carrier density.
|
|
| 3. |
- Andersson, Britt M., et al.
(author)
-
Thermal conductivity of YBa2Cu4O8 dominated by phonon-phonon interactions
- 1993
-
In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 48:5, s. 3575-3578
-
Journal article (peer-reviewed)abstract
- The thermal conductivity κ of dense sintered ceramic YBa2Cu4O8 in the range 30–310 K has been measured. At 100 K, κ is 10 W m-1 K-1, approaching the in-plane κ of single crystals of other high-Tc materials. κ decreases rapidly with increasing T to 7.4 W m-1 K-1 at 300 K. Fitting standard models for κ(T) to the data we find that κ is limited mainly by phonon-phonon interactions. Depending on the model used, the best fit is found for effective values of FTHETADebye between 155 and 185 K, characteristic for the acoustic phonon branches, indicating that such phonons carry most of the heat. Finally, we suggest a possible way to test the electron-phonon model for the electrical and thermal conductivities in high-Tc materials.
|
|
| 4. |
- Andersson, Ove, et al.
(author)
-
Collapse of an ice clathrate under pressure observed via thermal conductivity measurements
- 2008
-
In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 78, s. 174201-
-
Journal article (peer-reviewed)abstract
- Irreversible transformation of the tetrahydrofuran ice clathrate at 130 K was studied by measuring thermal conductivity k with increase in pressure p. Initially, k increases slowly with p up to 0.75 GPa where it levels off, is roughly constant up to 0.95 GPa, then decreases up to 1.05 GPa. Pressure collapses the clathrate structure, plausibly beginning with lattice distortion, and k increases at 1.05 GPa in a sharp sigmoid-shape manner due to large densification until the transformation is complete at 1.25 GPa. This is the opposite of that found for ice whose k decreases first slowly with increase in p and then rapidly in an inverted sigmoidshape manner [O. Andersson and H. Suga, Phys. Rev. B 65, 140201 (2002)]. At 1.08 GPa and 131 K, k increases with time t (s) according to exp(t /2945), which is also the opposite of the collapse of ice [G. P. Johari and O. Andersson, Phys. Rev. B 70, 184108 (2004)]. The difference in its behavior is attributed to strong phonon scattering from the tetrahydrofuran guest molecules. k of the collapsed clathrate is 30% less than that for the collapsed ice, which is comparable with the 25% lesser k of the tetrahydrofuran-water solution from k of water at ambient pressure. On depressurizing at 130 K, k decreases progressively more rapidly and k of the collapsed state at 0.3 GPa is slightly lower than that of the as-made clathrate, showing that its original structure is not recovered.
|
|
| 5. |
- Andersson, Ove, et al.
(author)
-
Effects of pressure and temperature on the thermal conductivity of Sn2P2S6
- 2011
-
In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 83:13
-
Journal article (peer-reviewed)abstract
- The thermal conductivity kappa of the ferroelectric, paraelectric, and incommensurate phases of polycrystalline Sn2P2S6 has been measured in the 0.1-0.7 GPa range. The thermal conductivity kappa of the ferroelectric phase decreases with increasing pressure p. This unusual behavior, which is found in only a few other phases, is attributed to a negative Gruneisen parameter. The temperature T dependence of kappa for the ferroelectric phase (kappa similar to T-1) is well described by the Debye model for kappa, with three-phonon Umklapp scattering serving as the dominant scattering mechanism near and above the Debye temperature (similar to 100 K) up to a few tenths of degrees below the ferro- to paraelectric phase transition, where kappa(T) gradually changes and becomes temperature independent upon further heating. The thermal conductivity of the paraelectric and incommensurate phases was temperature independent and indistinguishable. Possible causes for the unusually weak T dependence at high temperatures and implications of the p dependence of kappa are discussed.
|
|
| 6. |
- Andersson, Ove, et al.
(author)
-
Phase coexistence and hysteresis effects in the pressure-temperature phase diagram of NH3BH3
- 2011
-
In: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X. ; 84:2, s. 024115-
-
Journal article (peer-reviewed)abstract
- The potential hydrogen storage compound NH3BH3 has three known structural phases in the temperature and pressure ranges 110–300 K and 0–1.5 GPa, respectively. We report here the boundaries between, and the ranges of stability of, these phases. The phase boundaries were located by in situ measurements of the thermal conductivity, while the actual structures in selected areas were identified by in situ Raman spectroscopy and x-ray diffraction. Below 0.6 GPa, reversible transitions involving only small hysteresis effects occur between the room-temperature tetragonal plastic crystal I4mm phase and the low-temperature orthorhombic Pmn21 phase. Transformations of the I4mm phase into the high-pressure orthorhombic Cmc21 phase, occurring above 0.8 GPa, are associated with very large hysteresis effects, such that the reverse transition may occur at up to 0.5 GPa lower pressures. Below 230 K, a fraction of the Cmc21 phase is metastable to atmospheric pressure, suggesting the possibility that dense structural phases of NH3BH3, stable at room temperature, could possibly be created and stabilized by alloying or by other methods. Mixed orthorhombic Pmn21/Cmc21 phases were observed in an intermediate pressure-temperature range, but a fourth structural phase predicted by Filinchuk et al. [ Phys. Rev. B 79 214111 (2009)] was not observed in the pressure-temperature ranges of this experiment. The thermal conductivity of the plastic crystal I4mm phase is about 0.6 W m−1 K−1 and only weakly dependent on temperature, while the ordered orthorhombic phases have higher thermal conductivities limited by phonon-phonon scattering.
|
|
| 7. |
- Andersson, Ove, et al.
(author)
-
Thermal conductivity of C60 at pressures up to 1 GPa and temperatures in the range 50-300 K
- 1996
-
In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 54:5, s. 3093-3100
-
Journal article (peer-reviewed)abstract
- The thermal conductivity λ of C60 shows anomalies near 260 K and 90 K which are associated with the well-established phase transition and glass transition, respectively. Both transition temperatures increase with pressure, at the rates 120 K GPa-1 and 62 K GPa-1, respectively. With increasing temperature, λ of the simple cubic (sc) phase increased below 170 K (glasslike behavior) but decreased above. The glasslike behavior of λ is probably due to a substantial amount of lattice defects. Possible reasons for the change of sign of dλ/dT near 170 K are discussed. In the face centered cubic (fcc) phase (T≳260 K at atmospheric pressure) λ was almost independent of temperature, a behavior which is far from that of an ordered crystal (λ∝T-1 for T≳Debye temperature). This result can be attributed to the molecular orientational disorder of the fcc phase. The relaxation behavior associated with the glassy state and its unusually strong dependence on thermal history are discussed briefly, and data which support a previously reported relaxation model are presented. At room temperature, the density dependencies of λ, (∂ lnλ/∂ lnρ)T, were 5.5 and 9.5 for the fcc and sc phases, which are values typical for an orientationally disordered phase and a normal crystal phase, respectively.
|
|
| 8. |
- Araujo, Carlos Moyses, et al.
(author)
-
Pressure-induced structural phase transition in NaBH4
- 2005
-
In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 72:5, s. 054125-
-
Journal article (peer-reviewed)abstract
- We present a combined experimental and theoretical study of the technologically important NaBH4 compound under high pressure. Using Raman spectroscopy at room temperature, we have found that NaBH4 undergoes a structural phase transformation starting at 10.0 GPa with the pure high-pressure phase being established above 15.0 GPa. In order to compare the Raman data recorded under high pressure with the low-temperature tetragonal phase of NaBH4, we have also performed a cooling experiment. The known order-disorder transition from the fcc to the tetragonal structure was then observed. However, the new high pressure phase does not correspond to this low-temperature structure. Using first-principle calculations based on the density functional theory, we show that the high-pressure phase corresponds to the alpha-LiAlH4–type structure. We have found a good agreement between the measured and calculated transition pressures. Additionally, we present the electronic structure of both the fcc and the high-pressure phases.
|
|
| 9. |
- Baek, Seung Ki, et al.
(author)
-
Kosterlitz-Thouless transition of magnetic dipoles on thetwo-dimensional plane
- 2011
-
In: Physical Review B. Condensed Matter and Materials Physics. - : APS. - 1098-0121 .- 1550-235X. ; 83:18, s. 184409-5 p
-
Journal article (peer-reviewed)abstract
- The universality class of a phase transition is often determined by factorslike dimensionality and inherent symmetry. We study the magneticdipole system in which the ground-state symmetry and the underlying latticestructure are coupled to each other in an intricate way. A two-dimensional(2D)square-lattice system of magnetic dipoles undergoes an order-disorder phasetransition belonging to the 2D Ising universality class.According to Prakash and Henley [Phys. Rev. B {\bf 42}, 6572 (1990)], this can berelated to the fourfold-symmetric ground states which suggests a similarityto the four-state clock model. Provided that this type ofsymmetry connection holds true, the magnetic dipoles on a honeycomb lattice,which possess sixfold-symmetric ground states, should exhibit aKosterlitz-Thouless transition in accordance with the six-state clock model.This is verified through numerical simulations in the present investigation.However, it is pointed out that this symmetry argument does not alwaysapply, which suggests that factors other than symmetry can be decisive forthe universality class of the magnetic dipole system.
|
|
| 10. |
- Basylko, S. A., et al.
(author)
-
One-dimensional Kondo lattice model studied through numerical diagonalization
- 2008
-
In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 77:7
-
Journal article (peer-reviewed)abstract
- The one-dimensional Kondo lattice model is studied by means of the numerical diagonalization method. By using massively parallel computations, we were able to study lattices large enough to obtain convergent results for electron densities n <= 2/3. For such densities, an additional ferromagnetic region is found inside the paramagnetic phase. Also, a region is found where the localized spins participate in the low-energy dynamics together with the conduction electrons, thus resulting in a large Fermi surface. These results are an independent confirmation of previous density matrix renormalization group results.
|
|
