Related papers: Simultaneously optimizing the interdependent therm…
We studied the physical properties of two Kondo-lattice compounds, CeRu$_2$As$_2$ and CeIr$_2$As$_2$, by a combination of electric transport, magnetic and thermodynamic measurements. They are of ThCr$_2$Si$_2$-type and CaBe$_2$Ge$_2$-type…
We have calculated the band-$f$ hybridizations for Ce$_x$La$_{1-x}$M$_3$ compounds ($x=1$ and $x\rightarrow 0$; M=Pb, In, Sn, Pd) within the local density approximation and fed this into a non-crossing approximation for the Anderson…
We report measurements of inelastic neutron scattering, magnetic susceptibility, magnetization, and the magnetic field dependence of the specific heat for the heavy Fermion compounds Ce$_3$In and Ce$_3$Sn. The neutron scattering results…
We calculate the superconducting critical temperature T_c and the Kondo temperature T_K of the Kondo lattice, decoupling the Kondo exchange interaction in the unrestricted Hartree-Fock (HF) Bardeen-Cooper-Schrieffer (BCS) approximation. We…
The effects of various transition metal dopants on the electrical and thermal transport properties of Fe1-xMxSi alloys (M= Co, Ir, Os) are reported. The maximum thermoelectric figure of merit ZTmax is improved from 0.007 at 60 K for pure…
The results of electrical resistivity, heat capacity and magnetic susceptibility behavior of new class of alloys, Ce_{2-x}La_{x}CoSi_{3}, are reported. The x= 0.0 alloy is mixed valent and La substitution for Ce (x= 0.25) induces linear…
The lattice thermal conductivity ($\kappa_{\rm L}$) of PbTiO$_3$ (PTO) is estimated using a combination of {\em ab initio} calculations and semiclassical Boltzmann transport equation. The computed $\kappa_{\rm L}$ is remarkably low, nearly…
Thermoelectric (TE) materials are useful for applications such as waste heat harvesting or efficient and targeted cooling. While various strategies towards superior thermoelectrics through a reduction of the lattice thermal conductivity…
Designing the high performance magneto or elastocaloric effect in NiMnIn alloys with spin-lattice coupling in a deep freezing temperature range of 200 K to 255 K is challenging due to the limited lattice entropy change and large negative…
The thermoelectric properties of a semiconduct quantum dot chain (SQDC) connected to metallic electrodes are theoretically investigated in the Coulomb blockade regime. An extended Hubbard model is employed to simulate the SQDC system…
The electronic property and magnetic susceptibility of Ce$_3$Pd$_3$Bi$_4$ were systemically investigated from 18 K to 290 K for varying values of cell-volume using dynamic mean-field theory coupled with density functional theory. By…
We have theoretically investigated the thermoelectric properties of impurity-doped one-dimensional semiconductors, focusing on nitrogen-substituted (N-substituted) carbon nanotubes (CNTs), using the Kubo formula combined with a…
For simultaneously achieving the high-power factor and low lattice thermal conductivity of Si-Ge based thermoelectric materials, we employed, in this study, constructively modifying the electronic structure near the chemical potential and…
We report about detailed dimensionless figure of merit ($ZT$) calculated by using Fermi integral method (compared with Bi$_2$Te$_3$, CoSb$_3$, and SrTiO$_3$) for thermoelectric (TE) materials' design and its module application.…
We use first-principles electronic structure methods to calculate the electronic thermoelectric properties (i.e. due to electronic transport only) of single-crystalline bulk $n$-type silicon-germanium alloys vs Ge composition, temperature,…
In this work, we exactly solve a Kondo lattice model in the thermodynamic limit. The system consists of an electronic conduction band described by unconstrained hopping matrix elements between the lattice sites. The conducting electrons…
Thermoelectrical properties are frequently used to characterize the materials and endow the free energy from wasted heat for useful purposes. Here, we show that linear thermoelectric effects in tunnel junctions with Fe-based…
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…
We calculate thermal transport in the Falicov-Kimball model on an infinite-coordination-number Bethe lattice. We perform numerical calculations of the thermoelectric characteristics and concentrate on finding materials parameters for which…
We investigate thermoelectric properties of correlated quantum dots and molecules, described by a single level Anderson model coupled to conduction electron leads, by using Wilson's numerical renormalization group method. In the Kondo…