Related papers: First-principles study of LaOPbBiS$_3$ and its ana…
Thermoelectric power generation has been recognized as one of the most important technologies, and high-performance thermoelectric materials have long been pursued. However, because of the large number of candidate materials, this quest is…
In this study, we examined the thermoelectric properties of the layered bismuth-chalcogenide-based (BiCh2-based) compound LaOBiSSe, which is expected to be a new candidate material for thermoelectric applications. Densified samples were…
The layered Bi-chalcogenide compounds have been drawing much attention as a new layered superconductor family since 2012. Due to the rich variation of crystal structure and constituent elements, the development of new physics and chemistry…
We examined the crystal structure of the new thermoelectric material LaOBiS2-xSex, whose thermoelectric performance is enhanced by Se substitution, by using powder synchrotron X-ray diffraction and Rietveld refinement. The emergence of…
Thermoelectric materials can generate electricity directly utilizing heat and thus, they are considered to be eco-friendly energy resources. The thermoelectric efficiency at low temperatures is impractically small, except only a few bulk…
We have investigated the crystal structure of LaOBiPbS3 using neutron diffraction and synchrotron X-ray diffraction. From structural refinements, we found that the two metal sites, occupied by Bi and Pb, were differently surrounded by the…
The lead chalcogenides represent an important family of functional materials, in particular due to the benchmark high-temperature thermoelectric performance of PbTe. A number of recent investigations, experimental and theoretical, have…
We have investigated the electronic, vibrational, optical, thermal and piezoelectric properties of LiNbO$_3$, LiTaO$_3$ and Li$_2$NbTaO$_6$ using the first-principles calculation based on the density functional theory. It also shows…
Improving the figure of merit $zT$ of thermoelectric materials requires simultaneously a high power factor and low thermal conductivity. An effective approach for increasing the power factor is to align the band extremum and achieve high…
A high Seebeck coefficient (S), large electrical conductivity ({\sigma}), and reduced thermal conductivity ({\kappa}) are required to achieve a high figure-of-merit (zT) in an ideal thermoelectric (TE) system, which is challenging in a…
The electronic and transport properties of the half-Heusler compound LaPtSb are investigated by performing first-principles calculations combined with semi-classical Boltzmann theory and deformation potential theory. Compared with many…
The occurrence of high temperature superconductivity, and the competition with magnetism, in stoichiometric and doped LaOFeAs and isostructural iron-oxypnictides is raising many fundamental questions about the electronic structure and…
We have investigated the thermoelectric properties of the novel layered bismuth chalcogenides LaOBiS2-xSex. The partial substitution of S by Se produced the enhancement of electrical conductivity (metallic characteristics) in LaOBiS2-xSex.…
A high power factor and low lattice thermal conductivity are two essential ingredients of highly efficient thermoelectric materials. Although monolayers of transition metal dichalcogenides possess high power factors, high lattice thermal…
Thermoelectric materials, enabling the directing conversion between heat and electricity, are one of the promising candidates for overcoming environmental pollution and the upcoming energy shortage caused by the over-consumption of fossil…
Pb-based compounds have garnered considerable theoretical and experimental attention due to their promising potential in energy-related applications. In this study, we explore the glass-like alkali metal lead oxides X$_2$PbO$_3$ (X=Li, Na,…
Spectroscopic techniques, including photoelectron spectroscopy, diffuse reflectance, and x-ray absorption, are used to investigate the electronic structure and the local structure of LaOBiS$_{2-x}$Se$_x$ thermoelectric material. It is found…
Here we report a structural phase transition and its possible competition with superconductivity in the suboxide La$_5$Pb$_3$O. Upon cooling through $T_t$ = 225 K, La$_5$Pb$_3$O transforms from a high-temperature I4/mcm to a low-temperature…
Efficient thermoelectric materials require a rare and contraindicated combination of materials properties: large electrical conductivity, large Seebeck coefficient, and low thermal conductivity. One strategy to achieve the first two…
We report ab-initio calculations of the stability, lattice dynamics, electronic and thermoelectric properties of cubic La3-yX4 (X=S,Se,Te) materials in view of analyzing their potential for thermoelectric applications. The lanthanum motions…