scholarly journals Electrical conductivity of SiO2 at extreme conditions and planetary dynamos

2017 ◽  
Vol 114 (34) ◽  
pp. 9009-9013 ◽  
Author(s):  
Roberto Scipioni ◽  
Lars Stixrude ◽  
Michael P. Desjarlais
Keyword(s):  
Electrical Conductivity ◽  
Charge Ordering ◽  
Early Earth ◽  
Electronic Band ◽  
Compression Mechanism ◽  
Electronic Band Gap ◽  
Dynamics Simulations ◽  
Increasing Temperature ◽  
Very High ◽  
Planetary Dynamos

Ab intio molecular dynamics simulations show that the electrical conductivity of liquid SiO2 is semimetallic at the conditions of the deep molten mantle of early Earth and super-Earths, raising the possibility of silicate dynamos in these bodies. Whereas the electrical conductivity increases uniformly with increasing temperature, it depends nonmonotonically on compression. At very high pressure, the electrical conductivity decreases on compression, opposite to the behavior of many materials. We show that this behavior is caused by a novel compression mechanism: the development of broken charge ordering, and its influence on the electronic band gap.

scholarly journals DFT Study on the Carrier Concentration and Temperature-Dependent Thermoelectric Properties of Antimony Selenide

2016 ◽  
Vol 2016 ◽  
pp. 1-7 ◽  
Author(s):  
Aditya Jayaraman ◽  
Abhijit Bhat Kademane ◽  
Muralikrishna Molli
Keyword(s):  
Thermal Conductivity ◽  
Electrical Conductivity ◽  
Thermoelectric Properties ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Hole Concentration ◽  
Electronic Band ◽  
Electronic Thermal Conductivity ◽  
Increasing Temperature ◽  
Antimony Selenide

We present the thermoelectric properties of Antimony Selenide (Sb2Se3) obtained using first principles calculations. We investigated the electronic band structure using the FP-LAPW method within the sphere of the density functional theory. Thermoelectric properties were calculated using BoltzTrap code using the constant relaxation time (τ) approximation at three different temperatures 300 K, 600 K, and 800 K. Seebeck coefficient (S) was found to decrease with increasing temperature, electrical conductivity (σ/τ) was almost constant in the entire temperature range, and electronic thermal conductivity (κ/τ) increased with increasing temperature. With increase in temperature S decreased from 1870 μV/K (at 300 K) to 719 μV/K (at 800 K), electronic thermal conductivity increased from 1.56 × 1015 W/m K s (at 300 K) to 3.92 × 1015 W/m K s (at 800 K), and electrical conductivity decreased from 22 × 1019/Ω m s (at 300 K) to 20 × 1019/Ω m s (at 800 K). The thermoelectric properties were also calculated for different hole concentrations and the optimum concentration for a good thermoelectric performance over a large range of temperatures (from 300 K to 1000 K) was found for hole concentration around 1019 cm−3.

Tailored Electronic Band Gap and Valance Band Edge of Nickel Oxide via p-Type Incorporation

2021 ◽  
Vol 125 (13) ◽  
pp. 7495-7501
Author(s):  
Gang Wang ◽  
Jinju Zheng ◽  
Boyi Xu ◽  
Chaonan Zhang ◽  
Yue Zhu ◽  
...  
Keyword(s):  
Nickel Oxide ◽  
Band Gap ◽  
Band Edge ◽  
Electronic Band ◽  
Electronic Band Gap ◽  
P Type

scholarly journals Evidence of direct electronic band gap in two-dimensional van der Waals indium selenide crystals

2019 ◽  
Vol 3 (3) ◽  
Author(s):  
Hugo Henck ◽  
Debora Pierucci ◽  
Jihene Zribi ◽  
Federico Bisti ◽  
Evangelos Papalazarou ◽  
...  
Keyword(s):  
Band Gap ◽  
Van Der Waals ◽  
Indium Selenide ◽  
Two Dimensional ◽  
Electronic Band ◽  
Electronic Band Gap

Electronic Transport Properties of Hot-Pressed B6Si

1987 ◽  
Vol 97 ◽  
Author(s):  
C. Wood ◽  
D. Emin ◽  
R. S. Feigelson ◽  
I. D. R. Mackinnon
Keyword(s):  
Electrical Conductivity ◽  
Seebeck Coefficient ◽  
Transport Properties ◽  
Electronic Transport ◽  
Hall Mobility ◽  
Anomalous Behavior ◽  
Nominal Composition ◽  
Electronic Transport Properties ◽  
Increasing Temperature ◽  
P Type

ABSTRACTMeasurements of the electrical conductivity, Seebeck coefficient and Hall mobility from -300 K to -1300 K have been carried out on multiphase hotpressed samples of the nominal composition B6Si. In all samples the conductivity and the p-type Seebeck coefficient both increase smoothly with increasing temperature. By themselves, these facts suggest small-polaronic hopping between inequivalent sites. The measured Hall mobilities are always low, but vary in sign. A possible explanation is offered for this anomalous behavior.

scholarly journals Investigation of the relationship between landform classes and electrical conductivity (EC) of water and soil using a fuzzy model in a GIS environment

Solid Earth ◽  
2016 ◽  
Vol 7 (3) ◽  
pp. 873-880
Author(s):  
Marzieh Mokarram ◽  
Dinesh Sathyamoorthy
Keyword(s):  
Electrical Conductivity ◽  
Fuzzy Model ◽  
Chemical Properties ◽  
Geographical Information ◽  
Fars Province ◽  
Fuzzy Method ◽  
The North ◽  
The Relationship ◽  
Very High ◽  
Soil And Water

Abstract. Soil genesis is highly dependent on landforms as they control the erosional processes and the soil physical and chemical properties. The relationship between landform classification and electrical conductivity (EC) of soil and water in the northern part of Meharloo watershed, Fars province, Iran, was investigated using a combination of a geographical information system (GIS) and a fuzzy model. The results of the fuzzy method for water EC showed 36.6 % of the land to be moderately land suitable for agriculture; high, 31.69 %; and very high, 31.65 %. In comparison, the results of the fuzzy method for soil EC showed 24.31 % of the land to be as not suitable for agriculture (low class); moderate, 11.78 %; high, 25.74 %; and very high, 38.16 %. In total, the land suitable for agriculture with low EC is located in the north and northeast of the study area. The relationship between landform and EC shows that EC of water is high for the valley classes, while the EC of soil is high in the upland drainage class. In addition, the lowest EC levels for soil and water are in the plains class.

Pressure Dependence of the Electronic Band Gap in 6HSic

1996 ◽  
Vol 198 (1) ◽  
pp. 81-86 ◽  
Author(s):  
F. Engelbrecht ◽  
J. Zeman ◽  
G. Wellenhofer ◽  
C. Peppermüller ◽  
R. Helbig ◽  
...  
Keyword(s):  
Band Gap ◽  
Pressure Dependence ◽  
Electronic Band ◽  
Electronic Band Gap

scholarly journals The Electrical Conductivity of Some Hydrous and Anhydrous Molten Silicates as a Function of Temperature and Pressure

2021 ◽  
Author(s):  
◽  
John Satherley
Keyword(s):  
Electrical Conductivity ◽  
Quartz Crystal ◽  
Pressure Coefficient ◽  
General Picture ◽  
Water Composition ◽  
Mixed Alkali ◽  
Mixed Alkali Effect ◽  
Temperature And Pressure ◽  
Increasing Temperature ◽  
Arrhenius Temperature

<p>This thesis is concerned with the measurement and interpretation of electrical conductivity in molten silicates. Physicochemical properties and structural models of silica and silicates are reviewed first, to give a general picture of their behaviour. Electrical conductivity was measured as a function of temperature, pressure and water composition. To make these measurements an internally heated pressure vessel, designed to operate at temperatures up to 1200 degrees C and pressures up to 5 kbars was constructed. Conductivity measurements were made on the following anhydrous and hydrous silicate melts: SiO2/Na2O 60/40, 65/35, 75/25, 78/22 mol%; SiO2/Na2O/CaO 72/24/4 mol%; Mt. Erebus lava; SiO2/Na2O 78/22 mol% + ~5 wt% H2O and Mt. Erebus lava + ~4 wt% H2O in the temperature range 850-1000 degrees C and the pressure range 0-1.3 kbar. Arrhenius temperature and pressure dependencies on conductivity were observed. The pressure coefficient of conductivity was zero for the anhydrous melts well above Tg but small and positive for the hydrous silicates. Water caused ~40% reduction in conductivity when added to a melt which was accounted for in terms of the mixed alkali effect. Conductivity isobars for the hydrous silicates passed through a maximum as a function of increasing temperature. The conductivity behaviour as a function of temperature and pressure is analogous to that observed in partially ionised liquids and is intrepretated in an identical way. The range of operation of a piezoelectric alpha-quartz crystal viscometer was extended to allow measurement of viscosity as a function of temperature.</p>

scholarly journals Structural and Electrical Properties of ZnO Varistor with Different Particle Size for Initial Oxides Materials

2019 ◽  
Vol 2 (2) ◽  
pp. 20-31 ◽  
Author(s):  
Susan A Amin
Keyword(s):  
Electrical Conductivity ◽  
Particle Size ◽  
Nonlinear Coefficient ◽  
Hexagonal Wurtzite Structure ◽  
The Other ◽  
Breakdown Field ◽  
Residual Voltage ◽  
Structural And Electrical Properties ◽  
Increasing Temperature ◽  
Initial Starting

We report here structural, electrical and dielectric properties of ZnO varistors prepared with two different particle sizes for initial starting oxides materials (5 µm and 200 nm). It is found that the particle size of ZnO does not influence the hexagonal wurtzite structure of ZnO, while the lattice parameters, crystalline diameter, grain size and Zn-O bond length are affected. The nonlinear coefficient, breakdown field and barrier height are decreased from 18.6, 1580 V/cm and 1.153 eV for ZnO micro to 410 V/cm, 7.26 and 0.692 eV for ZnO nano.  While, residual voltage and electrical conductivity of upturn region are increased from 2.08 and 2.38x10-5 (Ω.cm)-1 to 4.55 and 3.03x10-5 (Ω.cm)-1. The electrical conductivity increases by increasing temperature for both varistors, and it is higher for ZnO nano than that of ZnO micro.  The character of electrical conductivity against temperature is divided into three different regions over the temperature intervals as follows; (300 K ≤ T ≤ 420 K), (420 K ≤ T ≤ 580 K) and (580 K ≤ T ≤ 620 K), respectively. The activation energy is increased in the first region from 0.141 eV for ZnO micro to 0.183 eV for ZnO nano and it is kept nearly constant in the other two regions. On the other hand, the average conductivity deduced through dielectric measurements is increased from 2.54x10-7 (Ω.cm)-1 for ZnO micro to 49x10-7 (Ω.cm)-1. Similar behavior is obtained for the conductivities of grains and grain boundaries. The dielectric constant decreases as the frequency increases for both varistors, and it is higher for ZnO nano than that of ZnO micro. These results are discussed in terms of free excited energy and strength of link between grains of these varistors.

Uncertainties of Thermal Conductivities From Equilibrium Molecular Dynamics Simulations

2016 ◽  
Author(s):  
Zuyuan Wang ◽  
Xiulin Ruan
Keyword(s):  
Molecular Dynamics ◽  
Correlation Time ◽  
Domain Size ◽  
Material System ◽  
Dynamics Simulations ◽  
Increasing Temperature ◽  
Solid Argon ◽  
Simulation Parameters ◽  
Simulation Time ◽  
Thermal Conductivities

The Green-Kubo method in the framework of equilibrium molecular dynamics (EMD) simulations is an effective method that has been widely used to calculate thermal conductivities of materials. The previous studies focused on the thermal conductivity values or the average values from repetitive simulations. Little research has been done to investigate the uncertainties of the thermal conductivities from EMD simulations. In this paper, we use solid argon as the material system to study the factors influencing the uncertainties of the predicted thermal conductivities. We find that the uncertainties decrease with the total simulation time as (ttotal)−α and increase with correlation time as (tcorre)β, where 0.48 < α, β < 0.52. We also find that the uncertainties decrease with increasing temperature, but the simulation domain size has a negligible effect. We propose some guidelines for selecting appropriate simulation parameters (e.g., the correlation time and total simulation time) to achieve a desired level of uncertainty. This work is potentially useful for future studies on calculating the thermal conductivities of materials using EMD simulations.

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