Related papers: A simple model for vacancy order and disorder in d…
Layered Zintl compounds exhibit significant tunability of thermoelectric (TE) parameters facilitated by their multiple elemental combinations and flexibility in stacking order within the layers. In this work, the effect of stacking order on…
Mixtures of bare atomic nuclei on a nearly uniform degenerate electron background are a realistic model of matter in the interior of white dwarfs. Despite tremendous progress in understanding their phase diagrams achieved mainly via…
Topological materials occupy the central stage in the modern condensed matter physics because of their robust metallic edge or surface states protected by the topological invariant, characterizing the electronic band structure in the bulk.…
We present here a simple qualitative model that interpolates between the high and low temperature properties of quasi-1D conductors. At high temperatures we argue that transport is governed by inelastic scattering whereas at low…
A half-Heusler material FeNb$_{0.8}$Ti$_{0.2}$Sb has been identified as a promising thermoelectric material due to its excellent thermoelectric performance at high temperatures. The origins of the efficient thermoelectric performance are…
Superconducting high-entropy alloys have recently emerged as a new platform for exploring superconductivity in highly disordered metallic systems and may offer advantages for applications requiring mechanical robustness and tolerance to…
We study the Holstein-Hubbard model at half filling to explore ordered phases including su- perconductivity (SC), antiferromagnetism (AF), and charge order (CO) in situations where the electron-electron and electron-phonon interactions are…
We have investigated the electronic and thermoelectric properties of half-Heusler alloys NiTZ (T = Sc, and Ti; Z = P, As, Sn, and Sb) having 18 valence electron. Calculations are performed by means of density functional theory and Boltzmann…
Phase diagram and pattern formation in two-dimensional Ising model with coupling between order parameter and lattice vibrations is investigated by Monte-Carlo simulations. It is shown that if the coupling is strong enough (or phonons are…
Materials with reduced dimensionality offer beneficial density-of-states (DOS) profiles for thermoelectric energy conversion, but can be impractical in realistic devices. Encouragingly, bulk high-symmetry materials can also exhibit similar…
Rare-earth niobates and tantalates possess low thermal conductivities, which can be further reduced in high-entropy compositions. Here, a large number of 40 compositions are synthesized to investigate the origin of low thermal conductivity.…
We report extensive measurements on a new compound (Yb0.24Sn0.76)Ru that crystallizes in the cubic CsCl structure. Valence band photoemission and L3 x-ray absorption show no divalent component in the 4f configuration of Yb. Inelastic…
Theoretical studies on charge ordering phenomena in quarter-filled molecular (organic) conductors are reviewed. Extended Hubbard models including not only the on-site but also the inter-site Coulomb repulsion are constructed in a…
We study the triangular lattice Ising model with a finite number of vertically stacked layers and demonstrate a low temperature reentrance of two Berezinskii-Kosterlitz-Thouless transitions, which results in an extended disordered regime…
Shaking optical lattices in a resonant manner offers an efficient and versatile method to devise artificial gauge fields and topological band structures for ultracold atomic gases. This was recently demonstrated through the experimental…
Convection is a fundamental fluid transport phenomenon, where the large-scale motion of a fluid is driven, for example, by a thermal gradient or an electric potential. Modeling convection has given rise to the development of chaos theory…
Achieving low thermal conductivity and good electrical properties is a crucial condition for thermal energy harvesting materials. Nanostructuring offers a very powerful tool to address both requirements: in nanostructured materials,…
In this study, theoretical investigation on structural, electronic, magnetic, elastic and thermoelectric properties of the full Heusler Co$_2$YPb (Y = Tc, Ti, Zr and Hf) alloys have been performed within density functional theory (DFT). The…
Recent experiments show that charge-density-wave correlations are prevalent in underdoped cuprate superconductors. The correlations are short ranged at weak magnetic fields but their intensity and spatial extent increase rapidly at low…
The thermoelectric properties of 54 different group 4 half-Heusler (HH) alloys have been studied from first principles. Electronic transport was studied with density functional theory using hybrid functionals facilitated by the $\mathbf{k}…