Thermoelectric transport of perfectly conducting channels in two- and three-dimensional topological insulators

Topological insulators have gapless edge/surface states with novel transport properties. Among these, there are two classes of perfectly conducting channels which are free from backscattering: the edge states of two-dimensional topological insulators and the one-dimensional states localized on dislocations of certain three-dimensional topological insulators. We show how these novel states affect thermoelectric properties of the systems and discuss possibilities to improve the thermoelectric figure of merit using these materials with perfectly conducting channels.Comment: 10 pages, 6 figures, proceedings for The 19th International Conference on the Application of High Magnetic Fields in Semiconductor Physics and Nanotechnology (HMF-19

Lattice thermal conductivity of disordered NiPd and NiPt alloys

Numerical calculations of lattice thermal conductivity are reported for the binary alloys NiPd and NiPt. The present work is a continuation of an earlier paper by us [PRB, 72, 214207 (2005)]which had developed a theoretical framework for the calculation of configuration-averaged lattice thermal conductivity and thermal diffusivity in disordered alloys. The formulation was based on the augmented space theorem combined with a scattering diagram technique. In this paper we shall show dependence of the lattice thermal conductivity on a series of variables like phonon frequency, temperature and alloy composition. The temperature dependence of $\kappa(T)$ and its realtion to the measured thermal conductivity is discussed. The concentration dependence of $\kappa$ appears to justify the notion of a minimum thermal conductivity as discussed by Kittel, Slack and others. We also study the frequency and composition dependence of the thermal diffusivity averaged over modes. A numerical estimate of this quantity gives an idea about the location of mobility edge and the fraction of states in the frequency spectrum which is delocalized.Comment: 23 pages, 18 figure

Cage-size control of guest vibration and thermal conductivity in Sr8Ga16Si30-xGex

We present a systematic study of thermal conductivity, specific heat, electrical resistivity, thermopower and x-ray diffraction measurements performed on single-crystalline samples of the pseudoquaternary type-I clathrate system Sr8Ga16Si30-xGex, in the full range of 0 < x < 30. All the samples show metallic behavior with n-type majority carriers. However, the thermal conductivity and specific heat strongly depend on x. Upon increasing x from 0 to 30, the lattice parameter increases by 3%, from 10.446 to 10.726 A, and the localized vibrational energies of the Sr guest ions in the tetrakaidekahedron (dodecahedron) cages decrease from 59 (120) K to 35 (90) K. Furthermore, the lattice thermal conductivity at low temperatures is largely suppressed. In fact, a crystalline peak found at 15 K for x = 0 gradually decreases and disappears for x > 20, evolving into the anomalous glass-like behavior observed for x = 30. It is found that the increase of the free space for the Sr guest motion directly correlates with a continuous transition from on-center harmonic vibration to off-center anharmonic vibration, with consequent increase in the coupling strength between the guest's low-energy modes and the cage's acoustic phonon modes.Comment: 7 pages, 7 figures, submitted to PR

Thermoelectric transport in strained Si and Si/Ge heterostructures

The anisotropic thermoelectric transport properties of bulk silicon strained in [111]-direction were studied by detailed first-principles calculations focussing on a possible enhancement of the power factor. Electron as well as hole doping were examined in a broad doping and temperature range. At low temperature and low doping an enhancement of the power factor was obtained for compressive and tensile strain in the electron-doped case and for compressive strain in the hole-doped case. For the thermoelectrically more important high temperature and high doping regime a slight enhancement of the power factor was only found under small compressive strain with the power factor overall being robust against applied strain. To extend our findings the anisotropic thermoelectric transport of an [111]-oriented Si/Ge superlattice was investigated. Here, the cross-plane power factor under hole-doping was drastically suppressed due to quantum-well effects, while under electron-doping an enhanced power factor was found. With that, we state a figure of merit of ZT$=0.2$ and ZT$=1.4$ at T=\unit[300]{K} and T=\unit[900]{K} for the electron-doped [111]-oriented Si/Ge superlattice. All results are discussed in terms of band structure features

Collaboration and teamwork: immersion and presence in an online learning environment

In the world of OTIS, an online Internet School for occupational therapists, students from four European countries were encouraged to work collaboratively through problem-based learning by interacting with each other in a virtual semi-immersive environment. This paper describes, often in their own words, the experience of European occupational therapy students working together across national and cultural boundaries. Collaboration and teamwork were facilitated exclusively through an online environment, since the students never met each other physically during the OTIS pilot course. The aim of the paper is to explore the observations that here was little interaction between students from different tutorial groups and virtual teamwork developed in each of the cross-cultural tutorial groups. Synchronous data from the students was captured during tutorial sessions and peer-booked meetings and analysed using the qualitative constructs of ‘immersion’, ‘presence’ and ‘reflection in learning’. The findings indicate that ‘immersion’ was experienced only to a certain extent. However, both ‘presence’ and shared presence were found by the students, within their tutorial groups, to help collaboration and teamwork. Other evidence suggests that communities of interest were established. Further study is proposed to support group work in an online learning environment. It is possible to conclude that collaborative systems can be designed, which encourage students to build trust and teamwork in a cross cultural online learning environment.</p

Glass-Like Heat Conduction in High-Mobility Crystalline Semiconductors

The thermal conductivity of polycrystalline semiconductors with type-I clathrate hydrate crystal structure is reported. Ge clathrates (doped with Sr and/or Eu) exhibit lattice thermal conductivities typical of amorphous materials. Remarkably, this behavior occurs in spite of the well-defined crystalline structure and relatively high electron mobility ($\sim 100 cm^2/Vs$). The dynamics of dopant ions and their interaction with the polyhedral cages of the structure are a likely source of the strong phonon scattering.Comment: 4 pages, 3 postscript figures, to be published, Phys. Rev. Let

Resonant States in the Electronic Structure of the High Performance Thermoelectrics AgPbmSbTe_{m}SbTe_{2+m}$ ; The Role of Ag-Sb Microstructures

Ab initio electronic structure calculations based on gradient corrected density functional theory were performed on a class of novel quaternary compounds AgPb$_{m}SbTe$_{2+m}$, which were found to be excellent high temperature thermoelctrics with large figure of merit ZT ~2.2 at 800K. We find that resonant states appear near the top of the valence and bottom of the conduction bands of bulk PbTe when Ag and Sb replace Pb. These states can be understood in terms of modified Te-Ag(Sb) bonds. Electronic structure near the gap depends sensitively on the microstructural arrangements of Ag-Sb atoms, suggesting that large ZT values may originate from the nature of these ordering arrangements.Comment: Accepted in Physical Review Letter

Glasslike vs. crystalline thermal conductivity in carrier-tuned Ba8Ga16X30 clathrates (X = Ge, Sn)

The present controversy over the origin of glasslike thermal conductivity observed in certain crystalline materials is addressed by studies on single-crystal x-ray diffraction, thermal conductivity k(T) and specific heat Cp(T) of carrier-tuned Ba8Ga16X30 (X = Ge, Sn) clathrates. These crystals show radically different low-temperature k(T) behaviors depending on whether their charge carriers are electrons or holes, displaying the usual crystalline peak in the former case and an anomalous glasslike plateau in the latter. In contrast, Cp(T) above 4 K and the general structural properties are essentially insensitive to carrier tuning. We analyze these combined results within the framework of a Tunneling/Resonant/Rayleigh scatterings model, and conclude that the evolution from crystalline to glasslike k(T) is accompanied by an increase both in the effective density of tunnelling states and in the resonant scattering level, while neither one of these contributions can solely account for the observed changes in the full temperature range. This suggests that the most relevant factor which determines crystalline or glasslike behavior is the coupling strength between the guest vibrational modes and the frameworks with different charge carriers.Comment: 8 pages, 4 figures, 4 tables, submitted to Phys. Rev.

First Order Bipolaronic Transition at Finite Temperature in the Holstein Model

We investigate the Holstein model by using the dynamical mean-field theory combined with the exact diagonalization method. Below a critical temperature Tcr, a coexistence of the polaronic and the bipolaronic solutions is found for the same value of the electron-phonon coupling $ in the range gc1(T)<g<gc2(T). In the coexistence region, the system shows a first order phase transition from the bipolaronic to the polaronic states as T decreases at T=Tp(<Tcr), where the double occupancy and the lattice fluctuation together with the anharmonicity of the effective ion potential change discontinuously without any symmetry breaking. The obtained bipolaronic transition seems to be consistent with the rattling transition in the beta-pyrochlore oxide KOs2O6.Comment: 5 pages, 5 figures, J. Phys. Soc. Jpn. 79 (2010) 09370

Electronic, vibrational and transport properties of pnictogen substituted ternary skutterudites

First principles calculations are used to investigate electronic band structure and vibrational spectra of pnictogen substituted ternary skutterudites. We compare the results with the prototypical binary composition CoSb$_3$ to identify the effects of substitutions on the Sb site, and evaluate the potential of ternary skutterudites for thermoelectric applications. Electronic transport coefficients are computed within the Boltzmann transport formalism assuming a constant relaxation time, using a new methodology based on maximally localized Wannier function interpolation. Our results point to a large sensitivity of the electronic transport coefficients to carrier concentration and to scattering mechanisms associated with the enhanced polarity. The ionic character of the bonds is used to explain the detrimental effect on the thermoelectric properties