Density Contour Plots Research Articles

Investigations of structural, electronic and optical properties of TM-GaO3 (TM = Sc, Ti, Ag) perovskite oxides for optoelectronic applications: a first principles study

We have examined structural, electronic and optical properties of TM-GaO3 (TM = Sc, Ti, Ag) perovskite oxides by means of first Principles study based on density functional theory (DFT). TM represents transition metal elements. To investigate structural properties, exchange correlation potential was determined by employing Full Potential Linearly Augmented Plane Wave (FP-LAPW) technique along with Perdew-Burke-Ernzerhof – GeneralizedGradient Approximation (PBE-GGA) functional. Moreover, Hubbard Ueff parameter LDA + U was used to overcome limitations of PBE-GGA functional. All compounds TM-GaO3 (TM = Sc, Ti, Ag) seem semi-conductor in nature because indirect band gap in each case has been observed with energies 1.33 eV, 0.75 eV and 1.95 eV, respectively. Partial density of states (PDOS) analyses portrayed that 3d orbitals of Sc & Ti, 4d orbital of Ag, and 2p orbital of anions contribute mainly to increase electronic conductivity of the studied compounds. Charge density contour plots depicted ionic nature of TM-cations, while, significant sharing of isolines between O and Ga atoms showed covalent character between them. These contours have also confirmed accumulation of charges around O atoms. Optical analysis revealed that the considered perovskite oxides show sharp increase in optical conductivity and absorptivity in higher energy range when energetic photons are incident upon. Remarkably, they displayed poor reflectivity. However, defect states introduced in the band gap region might be due to cations. These composites are suitable for photovoltaics and other optoelectronic applications

The influence of flow direction variation on the performance of a single cell for an anode-substrate flat-panel solid oxide fuel cell

This study was performed for a computational investigation of a single cell for an anode-substrate flat-panel solid oxide fuel cell (SOFC) to scrutinize the performance related to thermodynamic potential and overpotentials according to three other flow configurations: parallel flow, countercurrent flow, and perpendicular flow. To understand the performance differences based on the typical three flow configurations, the contour plots of temperature, species, and current density were simulated, and the trends and the portions of the diverse overpotentials were analyzed. The calculated results demonstrated that the parallel flow configuration had a tendency to deliver the highest performance and the lowest overpotentials of the three configurations because the temperature and H2 concentration in the parallel flow configuration were changed countercurrently along the anode flow direction. These overpotentials were complemented by interacting with the more uniform current density and the total impedance induced by the opposite directional change for the temperature and H2 concentration.In designing the anode-substrate flat-panel SOFC, the uniformity of flow rate in each channel, which affects significantly to both performance and lifetime of the cell, has been checked. From this numerical analysis result, the design performance of single cell was satisfactorily verified by obtaining negligible flow deviation in each channel of the designed separator deviation, which was less than 3% of the average velocity.

Prediction of rockburst in tunnels at the Jinping II hydropower station using microseismic monitoring technique

Rockburst hazards are frequently encountered in tunnels at the Jinping II hydropower station, which pose serious threats to the safety of personnel and equipment. Abnormal stress concentration caused by the rock mass interfaces and geological defects along the #3 headrace tunnel makes the rockburst difficult to predict using routine estimate and monitoring methods. A two-body interaction model was used to interpret the mechanism of the rockburst, which divided the evolution of a rockburst into three stages, i.e., the stress buildup period, early warning period, and rockburst occurrence period. The microseismic (MS) monitoring technique, which can capture the associated seismicity in the stress buildup period and early warning period, was employed to study and predict the rockburst hazards. An intense rockburst occurred at the right sidewall of the #3 headrace tunnel on September 21, 2011. The rockburst location was recognized by analyzing the spatial-temporal distribution and density contour plot of the recorded MS events from September 12, 2011 to September 21, 2011. Some seismic precursors to the rockburst were obtained based on quantitative interpretation of the source and statistical parameters of the 367 MS events, and they are a sharp increase in the daily event count and average energy level, the energy index remains at extremely high levels accompanied with a rapid increase in the cumulative apparent volume, a sharp decrease in the b value to an extremely low level, and a rapid increase in the seismicity index to an abnormally high level. The multi-parameter precursors to the rockburst should be comprehensively used to improve the prediction accuracy. The validity of using the MS method to predict the rockburst was verified by the preliminary achievement at the #3 headrace tunnel. This study may be valuable to improve the accuracy of rockburst prediction, and helpful for the safety assessment during construction of deep-buried tunnels.

Score-driven copula models for portfolios of two risky assets

ABSTRACTThe precise measurement of the association between asset returns is important for financial investors and risk managers. In this paper, we focus on a recent class of association models: Dynamic Conditional Score (DCS) copula models. Our contributions are the following: (i) We compare the statistical performance of several DCS copulas for several portfolios. We study the Clayton, rotated Clayton, Frank, Gaussian, Gumbel, rotated Gumbel, Plackett and Student's t copulas. We find that the DCS model with the Student's t copula is the most parsimonious model. (ii) We demonstrate that the copula score function discounts extreme observations. (iii) We jointly estimate the marginal distributions and the copula, by using the Maximum Likelihood method. We use DCS models for mean, volatility and association of asset returns. (iv) We estimate robust DCS copula models, for which the probability of a zero return observation is not necessarily zero. (v) We compare different patterns of association in different regions of the distribution for different DCS copulas, by using density contour plots and Monte Carlo (MC) experiments. (vi) We undertake a portfolio performance study with the estimation and backtesting of MC Value-at-Risk for the DCS model with the Student's t copula.

Elucidating DFT study on structural, electronic, thermal and elastic properties of SrTcO3 by using GGA and mBJ approach

Generalized gradient approximation and Modified Becke and Johnson (mBJ) potential scheme, within density functional theory, has been implemented to evaluate the structural, electronic and thermo-elastic attributes of SrTcO3. The structural stability of the very compound has been probed from tolerance factor, elastic stability criterion and ground state optimizations. In the study of electronic properties, formation of band-gap has been resolved by using density of states and from electron spin density contour plots. It is for the first time that mechanical and thermo-dynamical properties have been studied in terms of elastic constants, melting temperature, enthalpy of formation and Debye temperature. Our results have shown that SrTcO3 exhibit a stable ductile nature that makes it a convincing candidate for high temperature electronic applications.

Tuning of electronic band gaps and optoelectronic properties of binary strontium chalcogenides by means of doping of magnesium atom(s)- a first principles based theoretical initiative with mBJ, B3LYP and WC-GGA functionals

First principle based theoretical initiative is taken to tune the optoelectronic properties of binary strontium chalcogenide semiconductors by doping magnesium atom(s) into their rock-salt unit cells at specific concentrations x = 0.0, 0.25, 0.50, 0.75 and 1.0 and such tuning is established by studying structural, electronic and optical properties of designed binary compounds and ternary alloys employing WC-GGA, B3LYP and mBJ exchange-correlation functionals. Band structure of each compound is constructed and respective band gaps under all the potential schemes are measured. The band gap bowing and its microscopic origin are calculated using quadratic fit and Zunger's approach, respectively. The atomic and orbital origins of electronic states in the band structure of any compound are explored from its density of states. The nature of chemical bonds between the constituent atoms in each compound is explored from the valence electron density contour plots. Optical properties of any specimen are explored from the computed spectra of its dielectric function, refractive index, extinction coefficient, normal incidence reflectivity, optical conductivity optical absorption and energy loss function. Several calculated results are compared with available experimental and earlier theoretical data.

Effects of doping of calcium atom(s) on structural, electronic and optical properties of binary strontium chalcogenides - A theoretical investigation using DFT based FP-LAPW methodology

The effects of doping of Ca atom(s) on structural, electronic and optical properties of binary strontium chalcogenide semiconductor compounds have been investigated theoretically using DFT based FP-LAPW approach by modeling the rock-salt (B1) ternary alloys CaxSr1−xS, CaxSr1−xSe and CaxSr1−xTe at some specific concentrations 0 ≤ x ≤ 1 and studying their aforesaid properties. The exchange-correlation potentials for their structural properties have been computed using the Wu-Cohen generalized-gradient approximation (WC-GGA) scheme, while those for the electronic and optical properties have been computed using recently developed Tran-Blaha modified Becke-Johnson (TB-mBJ) scheme. In addition, we have computed the electronic and optical properties with the traditional BLYP and PBE-GGA schemes for comparison. The atomic and orbital origin of different electronic states in the band structure of each of the compounds have been identified from the respective density of states (DOS). Using the approach of Zunger and co-workers, the microscopic origin of band gap bowing has been discussed in term of volume deformation, charge exchange and structural relaxation. Bonding characteristics among the constituent atoms of each of the specimens have been discussed from their charge density contour plots. Optical properties of the binary compounds and ternary alloys have been investigated theoretically in terms of their respective dielectric function, refractive index, normal incidence reflectivity and optical conductivity. Several calculated results have been compared with available experimental and other theoretical data.

Effects of barium (Ba) doping on structural, electronic and optical properties of binary strontium chalcogenide semiconductor compounds - A theoretical investigation using DFT based FP-LAPW approach

The effects of doping of Ba atom(s) on structural, electronic and optical properties of binary strontium chalcogenide semiconductor compounds have been investigated theoretically using DFT based FP-LAPW approach by modeling the rock-salt (B1) ternary alloys BaxSr1−xS, BaxSr1−xSe and BaxSr1−xTe at some specific concentrations x = 0.0, 0.25, 0.50, 0.75 and 1.0 and studying their aforesaid properties. The exchange-correlation potentials for their structural properties have been computed using the Wu-Cohen generalized-gradient approximation (WC-GGA) scheme, while those for the electronic and optical properties have been computed using the WC-GGA and Tran-Blaha modified Becke-Johnson (TB-mBJ) scheme. The thermodynamic stability of all the modeled ternary alloys have been investigated by calculating their respective enthalpy of formation. The atomic and orbital origin of different electronic states in the band structure of each of the compounds have been identified from the respective density of states (DOS). Using the approach of Zunger and co-workers, the microscopic origin of band gap bowing has been discussed in term of volume deformation, charge exchange and structural relaxation. Bonding characteristics among the constituent atoms of each of the specimens have been discussed from their charge density contour plots. Optical properties of the binary compounds and ternary alloys have been investigated theoretically in terms of their respective dielectric function, refractive index, normal incidence reflectivity and optical conductivity. Several calculated results have been compared with available experimental and other theoretical data.

Numerical Simulation of Nanorod Growth in REBa2Cu3Oy Superconducting Thin Films

Various nanostructures consisting of BaMO 3 (BMO) self-organize in REBa 2 Cu 3 Oy (REBCO) films prepared by vapor phase epitaxy. A numerical simulation of the BMO self-organization was developed using the three-dimensional Monte Carlo (3D-MC) method, and the effects of deposition parameters such as substrate temperature (T s ), deposition rate (v dep ), and BMO volume fraction (f BMO ) on BMO self-organization were investigated. We consider only the kinetic factors and ignore mismatch strain on the nanorods (NRs) morphology. 3D-MC simulations for various T s indicated that the number density of BMO NRs decreased with an increase in T s , and this tendency was similar to previous experimental results for BaHfO 3 -doped SmBCO films prepared by the pulsed laser deposition method. The effects of v dep and f BMO were also simulated to provide contour plots of the number density of NRs with respect to T s and f BMO at various v dep . Phase diagrams of nanostructures consisting of BMO with various v dep were also obtained. Although these results do not take into account degradation of the superconducting properties and crystalline defects induced by nonoptimized conditions, they are considered to be a useful guideline for control of the flux pinning landscape on REBCO-coated conductors.

Theoretical investigation of structural, electronic and optical properties of MgxBa1−xS, MgxBa1−xSe and MgxBa1−xTe ternary alloys using DFT based FP-LAPW approach

Density functional theory (DFT) based full-potential linearized augmented plane wave (FP-LAPW) methodology has been employed to investigate theoretically the structural, electronic and optical properties of MgxBa1−xS, MgxBa1−xSe and MgxBa1−xTe ternary alloys for 0 ≤ x ≤ 1 in their rock-salt (B1) crystallographic phase. The exchange-correlation potentials for the structural properties have been computed using the Wu-Cohen generalized-gradient approximation (WC-GGA) scheme, while those for the electronic and optical properties have been computed using both the WC-GGA and the recently developed Tran-Blaha modified Becke-Johnson (TB-mBJ) schemes. The thermodynamic stability of all the ternary alloys have been investigated by calculating their respective enthalpy of formation. The atomic and orbital origin of different electronic states in the band structure of the compounds have been identified from the respective density of states (DOS). Using the approach of Zunger and co-workers, the microscopic origin of band gap bowing has been discussed in term of volume deformation, charge exchange and structural relaxation. Bonding characteristics among the constituent atoms of each of the specimens have been discussed from their charge density contour plots. Optical properties of the binary compounds and ternary alloys have been investigated theoretically in terms of their respective dielectric function, refractive index, normal incidence reflectivity and optical conductivity. Several calculated results have been compared with available experimental and other theoretical data.

Computational and Analytical Investigation of Aerodynamic Derivatives of Similitude Delta Wing Model at Hypersonic Speeds

This research paper presents a computational and analytical investigation of aerodynamic derivatives in an oscillating wedge. Unsteady hypersonic similitude has been apprehended for an oscillating wedge with an attached bow shock at a large incidence angle. The problems of instability and shock waves are generally associated with hypersonic flow and, therefore, it is imperative to evaluate aerodynamic models that can solve these problems. Lighthill’s piston theory is an unsteady aerodynamic model that is valid for an oscillating wedge with an attached shock wave. The analytical solution verifies that both the stiffness and the damping derivatives attain high values when the semi-vertex angle of the wedge is increased, while both derivatives assume lower values at increasing Mach numbers. Similarly, the pressure distribution over the wedge is evaluated to determine the details of how the developing flow cause the instabilities. Our study presents the contour plots of pressure, temperature, density, and Mach number that unravels the positions of flow separations in an oscillating wedge model.

Physical properties of fluorine based perovskites for vacuum-ultraviolet-transparent lens materials

Density functional theory (DFT) is used to study the bonding nature as well as the structural, electronic, and optical properties of the SrLiF3, SrNaF3, SrKF3 and SrRbF3 fluoroperovskite compounds. The findings are based on the total energy calculations where the Khon Sham (KS) equation is solved by means of an ab-initio full-potential linearized augmented plane wave (FP-LAPW) method. The structural properties including the lattice constant (ao), ground state energy (E), bulk modulus (B), and their pressure derivative (B′) are evaluated using the Local Density Approximation (LDA) and the Generalized Gradient Approximation (GGA) exchange correlation potential. Furthermore, to avoid the underestimation of the band profile by other DFT schemes we highlight the GGA plus Trans-Blaha modified Becke–Johnson (TB-mBJ) potential in lieu of attaining opto-electronic trends close to the expected experimental findings. Detailed analysis of the band dispersion curves is done with five different exchange and correlation schemes at the (Γ-Γ), (R-R), (M-M) and (X-X) symmetry points. A predominant characteristic associated with cation replacement shows that Li by Na, Na by K, and K by Rb significantly reduce the direct bandgap in these compounds. This crucial variation is responsible for working in different UV regions of the spectrum. The calculations of the band structure show that these compounds have a wide and direct energy bandgap at (Γ-Γ). The total and partial density of state curves are used to define the contributions of the different bands. In addition to this, contour plots of the electron density verify that the ionic behavior increases as we go from SrLiF3 to SrRbF3 while the brittleness, which dominates in them, decreases from SrLiF3 to SrRbF3. To verify the opto-electronic behavior bandgap dependent optical parameters, such as the complex dielectric function Ԑ(ω), optical conductivity σ(ω), energy loss function L(ω), and effective number of electrons neff, the sum rules are analyzed. All the calculated results are in favorable agreement with the previous theoretical and existing experimental data. Furthermore, the opto-electronic properties from the (TB-mBJ) potential are reported, which reveals that the fluorine based strontium series of perovskites are wide and direct band gap ionic insulators. The comprehensive present methodology represents an effective and influential tool for calculating the whole set of opto-electronic parameters, which can provide support for the understanding of various physical phenomena and empower device engineers for implementing these materials in UV based devices.

Electronic properties of the intermetallic compound Ti2In5 using the density functional theory

The identification of structurally stable phases in the In-Ti system is an open topic and currently there are four confirmed intermetallic phases: Ti3In, Ti3In2, Ti2In5 y Ti5In8. The most studied of this compounds is Ti3In, however, the properties of the others are not well known. For this reason, this work is a study of the electronic properties of the compound Ti2In5 using the density functional theory and the FP-LAPW method. The band structure shows the metallic character of the material, although for some directions in the k-space the electronic bands do not intercept the Fermi level. The density of states shows that in the vicinity of the Fermi level the greatest contribution comes from the d orbital of titanium, showing the importance of Ti in the metallic behavior of the material. The density contour plots shows a great contribution of indium atoms at the basal plane, while above this, but in lower quantity titanium atoms are also distributed. The Fermi surface of Ti2In5 is reported. The cohesive energy and the formation enthalpy were determined, showing an energetic condition that is more favorable than in the pure constituents alone.

DFT based FP-LAPW investigation of structural, electronic and optical properties of SrxPb1−xS, SrxPb1−xSe and SrxPb1−xTe ternary alloys

The structural, electronic and optical properties of SrxPb1−xS, SrxPb1−xSe and SrxPb1−xTe semiconductor ternary alloys for 0 ≤ x≤ 1 in their rock-salt (B1) crystallographic phase have been calculated using the full-potential linearized augmented plane wave (FP-LAPW) method under the framework of density functional theory (DFT). Using the Wu-Cohen generalized-gradient approximation (WC-GGA) induced exchange-correlation potential scheme, the ground state structural parameters have been calculated. Electronic properties of the binary compounds and their ternary alloys have been calculated mainly using Tran-Blaha modified Becke-Johnson (TB-mBJ) parameterization scheme. The atomic and orbital origin of different electronic states in the band structure of each of the compounds have been identified from their respective density of states (DOS). Using the approach of Zunger and co-workers, the microscopic origin of band gap bowing has been discussed in term of volume deformation, charge exchange and structural relaxation. Bonding characteristics among the constituent atoms of each of the specimens have been discussed from their charge density contour plots. Optical properties of the binary compounds and their ternary alloys have been calculated in terms of their respective dielectric function, refractive index, reflectivity and optical conductivity. Some calculated results are compared with available experimental and other theoretical results.

The structure of the bulk and the (001) surface of V2O5. A DFT+U study

GGA (PW91) + U is applied to the calculation of the structure (lattice parameters) and the electronic structure of the V2O5 bulk and its (001) surface for different values of Ueff used in the literature (0.0, 3.0 and 6.6 eV). Similar surface lattice parameters are calculated for the (001) surface and for the bulk, as well as similar electronic structures. The calculated lattice parameters (a and b for the surface and a, b and c for the bulk) are in good agreement with experimental results. It seems that there is no strong correlation between the calculated lattice parameters and the value of Ueff. The calculated width of the valence band keeps the value of for the three studied Ueff. However, the energy gap between the valence and the conduction bands increases with the value of Ueff. Ueff = 3.0 eV seems to be the most adequate value to describe the energy gap after comparison with experimental results. Electronic density contour plots indicate that for a larger (smaller) Ueff the accumulated charge in the V-O(1) bond is overestimated (underestimated). The contour plots (in the a direction) show that the charge distribution V-O(3) is less correlated with Ueff than the charge distribution V-O(1), whereas charge distribution V-O(2) seems not to be corretaled with Ueff. The energy gap between the valence and the conduction bands seems to be strongly related with the charge distribution in the V-O(1) bond. The V-O(1) bond stability seems to be correlated with Ueff. However, the stability of the V-O(2) and V-O(3) bonds seems not to be strongly affected by Ueff.

Grouping discontinuities in representative sets: influence on the stability analysis of slope cuts

Based on their orientation, different methods of grouping discontinuities in sets can be used; thus, three grouping methods and their influence on subsequent stability analyses are compared in this study. The first method combines the approaches of Priest, Shanley, Mathab and Yegulalp; the second method consists of grouping discontinuities manually based on an examination of density contour plots; and the third method is based on the spectral method. Unlike the others, the first method allows for the automatic determination of the number of discontinuity sets. The first and third methods were programmed in the Mathematica software environment, while DIPS software was used for the second method. Depending on the grouping process used, each discontinuity or only a portion of all discontinuities is assigned to a set. Therefore, the results in terms of the number of sets; the mean and dispersion of the sets; and the spacing of a given set differ with different methods. The consequences of a statistical analysis of orientation on the stability analysis were studied with simulations using RESOBLOK software, which couples the construction of 3D geometric block systems and a quick, iterative, limit-equilibrium stability analysis. Different fracture networks were generated with variable input parameters that were derived from previous statistical analyses of orientation and spacing. The software provides statistical outputs, such as the number and volume of unstable blocks, that can be compared across different cases. An application in a cutting slope near Ax-les-Thermes is presented; the influence of the grouping methods and of the uncertainty of slope orientation on stability indicators is presented. A synthetic indicator of global stability is also proposed.

Correlation of structure and ion conduction in La2−xYxMo2O9 (0 ≤ x ≤ 0.2) oxygen ion conductors

Correlation of structure and ion conduction of La2−xYxMo2O9 (0 ≤ x ≤ 0.2) has been investigated. The cubic symmetry with space group P213 and other structural parameters are obtained from Rietveld refinement of X-ray diffraction patterns of Y doped samples. The average lanthanum-oxygen and molybdenum-oxygen distances are obtained from the electron density contour plot. The transmission electron microscopic study confirms the cubic nature of the samples and also provides an estimate of thickness of the grain boundary. The scanning transmission electron microscope energy dispersive spectrometer mapping confirms the different orientations of grains. The composition dependence of the ionic conductivity has been correlated with that of O2 and O3 site occupancies in the [O1La3Mo] antitetrahedral unit. The different vibrational modes in the low frequency region due to vibration of Mo-O bands are confirmed from the analysis of FTIR and Raman spectra. The full widths at half maximum of most of the Mo-O bands are found to be independent of Y doping. Additionally, the shifts in the position of Raman bands are correlated with unit cell parameter using Grüneisen constant.

First principles study of structural, elastic, electronic and magnetic properties of Mn-doped AlY (Y=N, P, As) compounds

We investigate zinc-blende phase Al0.75Mn0.25Y (Y=N, P, As) compounds using full-potential linear-augmented-plane wave plus local-orbital method. For computing structural and elastic properties the Generalized Gradient Approximation (GGA) has been used; whereas the electronic and magnetic properties are examined at the optimized GGA lattice parameters by employing modified Becke and Johnson local density approximation. All these compounds are found to be stable in ferromagnetic ordering in the zinc-blende structure which is supported by the computed elastic constants. The nature of electronic band structure are calculated and the nature of band gaps in the doped system is analyzed. The results are examined to identify exchange mechanism which is the main source of introducing ferromagnetism in the compounds under investigation. Spin charge density contour plots in the (110) plane and the evaluation of s–p and p–d exchange constants (N0α and N0β) are evaluated for understanding bonding and exchange splitting process, respectively.

The multivariate slash and skew-slash student t distributions

In this article, we introduce the multivariate slash and skew-slash t distributions which provide alternative choices in simulating and fitting skewed and heavy tailed data. We study their relationships with other distributions and give the densities, stochastic representations, moments, marginal distributions, distributions of linear combinations and characteristic functions of the random vectors obeying these distributions. We characterize the skew t, the skew-slash normal and the skew-slash t distributions using both the hidden truncation or selective sampling model and the order statistics of the components of a bivariate normal or t variable. Density curves and contour plots are drawn to illustrate the skewness and tail behaviors. Maximum likelihood and Bayesian estimation of the parameters are discussed. The proposed distributions are compared with the skew-slash normal through simulations and applied to fit two real datasets. Our results indicated that the proposed skew-slash t fitting outperformed the skew-slash normal fitting and is a competitive candidate distribution in analyzing skewed and heavy tailed data. Mathematics Subject Classification Primary 62E10; Secondary 62P10

Optoelectronic and transport properties of Zintl phase KBa2Cd2Sb3 compound

The electronic structure, optical response and transport properties of KBa2Cd2Sb3 compound were calculated using the state-of-the-art all electron full potential linear augmented plane wave (FPLAPW) method. The calculated band structure and density of states exhibit an energy gap of about 0.71eV. Close agreement was found among the optimized atomic positions, calculated bond lengths, bond angles and the experimental data. The bonding nature of KBa2Cd2Sb3 was investigated using the calculated charge density contour plot. Additionally the complex dielectric function, refractive index, absorption coefficient, reflectivity and energy loss function were calculated and discussed in detail. The investigated optical parameters show high effectiveness for improvement of optoelectronic devices. The calculated uniaxial anisotropy value (0.01327) confirm there existence a considerable anisotropy among the spectral components of dielectric function and its derivatives. The investigation of electrical and thermal conductivities, Seebeck coefficient, power factor and figure of merit (ZT=1) have confirmed that this material is a robust for thermoelectric applications.