Direct current hopping conductance in one-dimensional diagonal disordered systems

Based on a tight-binding disordered model describing a single electron band, we establish a direct current (dc) electronic hopping transport conductance model of one-dimensional diagonal disordered systems, and also derive a dc conductance formula. By calculating the dc conductivity, the relationships between electric field and conductivity and between temperature and conductivity are analysed, and the role played by the degree of disorder in electronic transport is studied. The results indicate the conductivity of systems decreasing with the increase of the degree of disorder, characteristics of negative differential dependence of resistance on temperature at low temperatures in diagonal disordered systems, and the conductivity of systems decreasing with the increase of electric field, featuring the non-Ohm's law conductivity.     

Low-temperature electronic transport behaviour of powder-metallurgical SiGe alloys

Electronic transport properties of mechanically alloyed phosphorous-doped SiGe alloys at low temperatures were examined. We found that in this granular medium hopping-processes show an influence on the electronic conductivity. In addition, Hall-measurements revealed that the electron mobility reflects the band-structure of this alloy concerning intervalley-scattering and alloy-scattering. Mobility reaches a minimum at an alloy composition of roughly 25 at.% silicon.     

Insights into the physical properties and anisotropic nature of ErPdBi with an appearance of low minimum thermal conductivity

We theoretically study the structural, elastic and optical properties of Er Pd Bi together with its anisotropic behaviors using density functional theory. It is observed that Er Pd Bi satisfies the Born stability criteria nicely and possesses high quality of machinability. The anisotropic behavior of Er Pd Bi is reported with the help of theoretical anisotropy indices incorporating 3 D graphical presentation, which suggests that Er Pd Bi is highly anisotropic in nature. It is noticed that the minimum thermal conductivity is very low for Er Pd Bi compared to the several species. This low value of minimum thermal conductivity introduces the potentiality of Er Pd Bi in high-temperature applications such as thermal barrier coatings.In addition, deep optical insights of Er Pd Bi reveal that our material can be used in different optoelectronic and electronic device applications ranging from organic light-emitting diodes, solar panel efficiency, waveguides etc. to integration of integrated circuits. Therefore, we believe that our results will provide a new insight into high-temperature applications and will benefit for the development of promising optoelectric devices as well.     

Solid vitreous electrolytes based on the system Li2O-Li2SO4-B2O3-MoO3 for rechargeable lithium power sources

In the given work with the purpose of improvement of moistening ability of sulfoborate solid vitreous electrolyte (SVE) in their structure entered molybdenum oxide (VI). Reduction of wetting angle, i.e. improvement of electrode wetting by a SVE-melt, accompanied by better electrode (aluminium) /SVE interface contact formation. Accordingly, the interface impedance is reduced. As a result of the carried out experiments is established, that the modifying SVE by molybdenum oxide (VI) renders complex positive influence on its physical-chemical properties, namely: improves X-ray-amorphism, raises ionic conductivity, reduces electronic conductivity and effective energy of ion conductivity activation. At comparison of properties modified SVE and "LiPON", it is visible, that the ratio between ionic and electronic conductivity for modified SVE approximately on the order is higher, than for "LiPON". Ionic conductivity of the modified SVE higher than conductivity of "LiPON". The low value of electronic conductivity investigated SVE on a background ionic is the positive factor from the point of view of their use in lithium power sources. Paper presented at the Patras Conference on Solid State Ionics — Transport Properties, Patras, Greece, Sept. 14 – 18, 2004.     

Physical properties of niobium and tantalum nitrides

The paper gives experimental data on microhardness, electrical and thermal conductivity, Hall coefficient, and thermal emf of tantalum and niobium nitrides. The electronic structures and phase composition of the compounds are discussed on the basis of the results. The changes in properties which occur when the nitrogen content is increased are the same in both systems. At low nitrogen concentrations the electrical conductivity is mainly of the hole type, and at nitrogen concentrations above about 26 at.% it is electronic.     

Thermal conductivity of UC1 − xNx from 100 to 1000 °K

The thermal diffusivities of UC_{1 ? x}N_x of several compositions were measured from 100 to 1000 °K by a laser flash method. The thermal conductivity was separated into electronic and phonon components by assuming the constant Lorenz number. The phonon conductivity showed an anomalous behaviour against composition at low temperatures. The total thermal conductivity of UC_{1 ? x}N_x showed a minimum above 300 °K at an intermediate composition which moved to higher carbon content with increasing temperature. This behaviour was explained by the temperature dependence of the lattice and electronic components.     

一维二元非对角关联无序体系跳跃电导特性

在单电子紧束缚无序模型基础上，建立了一维二元关联无序体系电子跳跃输运直流电导模型，并推导了其直流电导公式，通过计算其直流电导率，探讨了格点能量无序度、非对角关联及温度、外场对体系跳跃电导的影响.计算结果表明，一维二元无序体系的直流电导率随着格点能量无序度的增大而减小；当引入非对角关联时，体系出现退局域化现象，从而使体系的直流电导率增大；温度对体系的电子输运的影响表现为体系的直流电导率随温度的升高而增大；在外加电场的调制下，体系的直流电导率在强场区随电场强度增加而增长很快，呈现出非欧姆定律特性，但在弱场区外场的作用不明显. 关键词： 二元无序体系 跳跃电导 格点能量无序度 非对角关联     

Effects of bulk charged impurities on the bulk and surface transport in three-dimensional topological insulators

In the three-dimensional topological insulator (TI), the physics of doped semiconductors exists literally side-by-side with the physics of ultrarelativistic Dirac fermions. This unusual pairing creates a novel playground for studying the interplay between disorder and electronic transport. In this mini-review, we focus on the disorder caused by the three-dimensionally distributed charged impurities that are ubiquitous in TIs, and we outline the effects it has on both the bulk and surface transport in TIs. We present self-consistent theories for Coulomb screening both in the bulk and at the surface, discuss the magnitude of the disorder potential in each case, and present results for the conductivity. In the bulk, where the band gap leads to thermally activated transport, we show how disorder leads to a smaller-than-expected activation energy that gives way to variable-range hopping at low temperatures. We confirm this enhanced conductivity with numerical simulations that also allow us to explore different degrees of impurity compensation. For the surface, where the TI has gapless Dirac modes, we present a theory of disorder and screening of deep impurities, and we calculate the corresponding zero-temperature conductivity. We also comment on the growth of the disorder potential in passing from the surface of the TI into the bulk. Finally, we discuss how the presence of a gap at the Dirac point, introduced by some source of time-reversal symmetry breaking, affects the disorder potential at the surface and the mid-gap density of states.     

Quantum Hall effect-insulator transition in the InAs/GaAs system with quantum dots

The InAs/GaAs structures consisting of quantum-dot layers with electronic properties typical of two-dimensional systems are investigated. It is found that, at a low concentration of charge carriers, the variable-range-hopping conductivity is observed at low temperatures. The localization length corresponds to characteristic quantum-dot cluster sizes determined using atomic-force microscopy (AFM). The quantum Hall effect-insulator transition induced by a magnetic field occurs in InAs/GaAs quantum-dot layers with metallic conductivity. The resistivities at the transition point exceed the resistivities characteristic of electrons in heterostructures and quantum wells. This can be explained by the large-scale fluctuations of the potential and, hence, the electron density.     

Transport in a disordered tight-binding chain with dephasing

We studied transport properties of a disordered tight-binding model (XX spin chain) in the presence of dephasing. Focusing on diffusive behaviour in the thermodynamic limit at high energies, we analytically derived the dependence of conductivity on dephasing and disorder strengths. As a function of dephasing, conductivity exhibits a single maximum at the optimal dephasing strength. The scaling of the position of this maximum with disorder strength is different for small and large disorders. In addition, we studied periodic disorder for which we found a resonance phenomenon, with conductivity having two maxima as a function of dephasing strength. If the disorder is non-zero only at a random fraction of all sites, conductivity is approximately the same as in the case of a disorder on all sites but with a rescaled disorder strength.     

硼氮掺杂对立方PbTiO3电子结构和光学性质影响的第一性原理研究

钛酸铅(PTO)因具有优异的铁电、压电特性及光学性质而备受关注.但B、N掺杂对顺电相PTO电子结构和光学性质的影响还不明确,因此,利用第一性原理对立方PTO开展准确的性质预测尤为必要.本文采用广义梯度近似的PBE泛函(GGA-PBE)和杂化泛函(HSE06)研究了B、N替位掺杂(B_O、N_O)和O空位(V_O)对PTO的基态性质、电子结构和光学性质的影响.研究表明：贫氧态的PTO比富氧态更容易形成杂质缺陷,且N_O缺陷最难形成.当B_O、N_O缺陷存在时,PTO的价带顶和导带底向低能量方向移动,在两者之间出现杂质能级,使其导电性能提高且含B_O的PTO为间接带隙半导体,而含N_O的PTO为直接带隙半导体. N_O体系在波长大约为230 nm处有最大吸收峰,该峰主要源于O 2p和Ti 3d之间的电子跃迁,且N_O体系对可见光的吸收能力最强,有望提高PTO的光催化能力.     

Effect of interactions, disorder and magnetic field in the Hubbard model in two dimensions

The effects of both interactions and Zeeman magnetic field in disordered electronic systems are explored in the Hubbard model on a square lattice. We investigate the thermodynamic (density, magnetization, density of states) and transport (conductivity) properties using determinantal quantum Monte Carlo and inhomogeneous Hartree Fock techniques. We find that at half filling there is a novel metallic phase at intermediate disorder that is sandwiched between a Mott insulator and an Anderson insulator. The metallic phase is highly inhomogeneous and coexists with antiferromagnetic long-range order. At quarter filling also the combined effects of disorder and interactions produce a conducting state which can be destroyed by applying a Zeeman field, resulting in a magnetic field-driven transition. We discuss the implication of our results for experiments.     

Optical and electrical properties of C60Tex films

The structure, composition, and electrical and optical properties of thin tellurium-intercalated fullerene films C₆₀Te_x are investigated. The samples of compositions from C₆₀Te_0.1 to C₆₀Te₆ are prepared by thermal evaporation. The sample composition and the impurity distribution are controlled by the Rutherford backscattering technique. The Raman vibrational spectra indicate changes in the symmetry of a C₆₀ molecule: the strain of the molecule increases with a decrease in the tellurium concentration and decreases as the tellurium impurity concentration increases. The evolution of the optical absorption spectra and the electrical conductivity suggests that intercalation of a tellurium impurity leads to modification of the electronic structure of the material. This process is accompanied by a shift and change in shape of the optical absorption edge and a change in the electrical conductivity of films by several orders of magnitude depending on the composition. The electrical conductivity is minimum at a low tellurium impurity content.     

Electron localization properties in graphene

We study localization properties of the Dirac-like electronic states in monolayers of graphite. In the framework of a general disorder model, we discuss the conditions under which such standard localization effects as the logarithmic temperature-dependent conductivity correction appear to be strongly suppressed, as compared to the case of a two-dimensional electron gas with parabolic dispersion, in agreement with recent experimental observations.     

High-pressure thermopower of sulfur

First measurements of the thermopower and transverse magnetoresistance of sulfur at ultrahigh pressures of up to ～40 GPa are reported. The conductivity of sulfur, as that of other elemental Group VI semiconductors (Te, Se), is shown to be due to valence band holes. The variation of band gap width is derived from the pressure dependence of thermopower. The observed negative magnetoresistance of sulfur at P ～ 30 GPa indicates a low hole mobility and suggests the existence of an indirect minimum gap in the electronic spectrum. The pressure-induced variation of the electronic structure of sulfur is discussed in terms of the Peierls lattice instability model.     

Structural principles and amorphouslike thermal conductivity of Na-doped Si clathrates

The postulated low thermal conductivity and the possibility of altering the electronic conductivity of metal-doped clathrates with semiconducting host elements have stimulated great interest in exploring these compounds as promising thermoelectric materials. The electronic and thermal properties of the prototypical Na xSi (46) system are studied in detail here. It is shown that, despite the fact that the Na/Si clathrate is metallic, its thermal conductivity resembles that of an amorphous solid. A theoretical model is developed to rationalize the structural stability of the peculiar structural topology, and a general scheme for rational design of high efficiency thermoelectric materials is presented.     

Effects of absorbed hydrogen on the electronic properties of (Zr2Fe)(1-x)H(x) metallic glasses

The electrical conductivity (σ) of hydrogen doped (Zr(2)Fe)(1-x)H(x) metallic glasses has been measured in the temperature range from 290 down to 5 K. The decrease of the room temperature conductivity and the increase of its temperature coefficient are explained as consequences of increased disorder due to hydrogen doping. σ(T) for (Zr(2)Fe)(1-x)H(x) metallic glasses at low temperatures decreases with the increase of temperature, forming a minimum at T(min), before it starts a monotonic increase with increasing temperature. Both the functional forms and the magnitudes of the observed σ(T) are interpreted in terms of weak localization, electron-electron interaction and spin-fluctuation effects. Our results reveal that the electron-phonon scattering rate varies with the square of temperature from low temperatures up to 100 K and changes behaviour to a linear form at higher temperatures. At low temperatures, the minimum in σ(T) is shifted to higher temperatures, which is ascribed to the increase of the screening parameter of the Coulomb interaction F* associated with the enhancement of the spin fluctuations arising from the increase of the hydrogen doping. The spin-orbit scattering rate and the electron diffusion constant are reduced by hydrogen doping.     

Thermal conductivity: A review of some important developments

Some recent developments are presented which relate to the thermal conductivity of metals and its measurement. These include the influence of sample size on the electronic thermal conductivity of very pure metals, the thermal conductivity minimum of aluminium and a few other metals at sub-normal temperatures, the high-temperature thermal conductivity and increasing Lorenz function of platinum, with particular reference to the experiments of Flynn and O'Hagan (1967), the thermal conductivity of molten metals and the recently reported Lorenz functions decreasing with increase in temperature to well below the theoretical value, and the encouraging results of an investigation in progress at the Thermophysical Properties Research Center (TPRC) on direct electrical heating methods for the measurement of metallic thermal conductivities to high temperatures. Modern computer techniques avoid the restrictions and approximations introduced in the many existing methods and allow thermal conductivity to be accurately evaluated from the observed temperature profile. This method has the additional advantage that many other properties can be obtained to high temperatures for the same sample and experimental conditions. The account shows that despite the amount of effort already devoted to thermal conductivity determinations, this still remains a most rewarding field requiring further accurate measurements.     

Anisotropy of elasticity and minimum thermal conductivity of monocrystal M4AlC3 （M = Ti,Zr, Hf）

The elastic constants, elastic anisotropy index, and anisotropic fractional ratios of Ti4AlC3, Zr4AlC3, and Hf4AlC3 are studied by using a plane wave method based on density functional theory. All compounds are characterized by the elastic anisotropy index. The bond length, population, and hardness of the three compounds are calculated. The degrees of hardness are then compared. The minimum thermal conductivity at high temperature limitation in the propagation direction of [0001](0001) is calculated by the acoustic wave velocity, which indicates that the thermal conductivity is also anisotropic. Finally, the electronic structures of the compounds are analyzed numerically. We show that the bonding of the M4AlC3 lattice exhibits mixed properties of covalent bonding, ionic bonding, and metallic bonding. Moreover, no energy gap is observed at the Fermi level, indicating that various compounds exhibit metallic conductivity at the ground state.     

Purely electronic transport and localization in the Bose glass

We discuss transport and localization properties on the insulating side of the disorder dominated superconductor‐insulator transition, described in terms of the dirty boson model. Analyzing the spectral properties of the interacting bosons in the absence of phonons, we argue that the Bose glass phase admits three distinct regimes. For strongest disorder the boson system is a fully localized, perfect insulator at any temperature. At smaller disorder, only the low temperature phase exhibits perfect insulation while delocalization takes place above a finite temperature. We argue that a third phase must intervene between these perfect insulators and the superconductor. This conducting Bose glass phase is characterized by a mobility edge in the many body spectrum, located at finite energy above the ground state. In this insulating regime purely electronically activated transport occurs, with a conductivity following an Arrhenius law at asymptotically low temperatures, while a tendency to superactivation is predicted at higher T. These predictions are in good agreement with recent transport experiments in highly disordered films of superconducting materials.