Related papers: Intrinsic defects and conduction characteristics o…
The controlled covalent functionalization of semiconducting single-walled carbon nanotubes (SWCNTs) with luminescent sp$^{3}$ defects leads to additional narrow and tunable photoluminescence features in the near-infrared and even enables…
We calculate the properties of the 4$d$ ferromagnet SrRuO$_3$ in bulk and thin film form with the aim of understanding the experimentally observed metal to insulator transition at reduced thickness. Although the spatial extent of the 4$d$…
Decreasing thermal conductivity is important for designing efficient thermoelectric devices. Traditional engineering strategies have focused on point defects and interface design. Recently, dislocations as line defects have emerged as a new…
In this study we employ Density Functional Theory (DFT) methods to investigate the surface energy barrier for electron emission (surface barrier) and thermodynamic stability of Ba and Ba-O species adsorption under conditions of high…
Lowering the operating temperature of Solid Oxide Fuel Cells (SOFCs) is essential for improving durability and enabling large scale commercialization. Mixed ionic-electronic conductors (MIECs) of the Ruddlesden-Popper family, such as…
beta-Ga2O3 is a wide bandgap semiconductor with electrical properties better than SiC and GaN which makes it promising for applications of next-generation power devices. However, the thermal conductivity of \b{eta}-Ga2O3 is more than one…
Sn-doped In$_2$O$_3$ or ITO is the most widely used transparent conducting oxide. We use first-principles calculations to investigate the limitations to its transparency due to free-carrier absorption mediated by phonons or charged defects.…
Silicon carbide is a hard, semiconducting material presenting many polytypes, whose behavior under extreme conditions of pressure and temperature has attracted large interest. Here we study the mechanical properties of 3C-SiC over a wide…
Superconductivity is one of most intriguing quantum phenomena, and the quest for elemental superconductors with high critical temperature (Tc) is of great scientific significance due to their relatively simple material composition and the…
The Kondo insulator SmB$_6$ has long been known to display anomalous transport behavior at low temperatures, T$<5$ K. In this temperatures range, a plateau is observed in the dc resistivity, contrary to the exponential divergence expected…
The dependence of the electrical conductivity on the oxygen partial pressure is calculated for the prototypical perovskite $\Ba\Ti\O_3$ based on data obtained from first-principles calculations within density functional theory. The…
The electronic structure of Sc1-xVxNy epitaxial films with different alloying concentrations of V are investigated with respect to effects on thermoelectric properties. Band structure calculations on Sc0.75V0.25N indicate that V 3d states…
We investigate the Sn-substitution effect on the thermoelectric transport properties of the layered cobaltite [Ca$_2$CoO$_3$]$_{0.62}$[CoO$_2$] single crystals, which exhibit a non-monotonic temperature variation of the electrical…
The recent discovery of magnetic skyrmion lattices initiated a surge of interest in the scientific community. Several novel phenomena have been shown to emerge from the interaction of conducting electrons with the skyrmion lattice, such as…
Despite being the archetypal thermoelectric material, still today some of the most exciting advances in the efficiency of these materials are being achieved by tuning the properties of PbTe. Its inherently low lattice thermal conductivity…
Uranium dioxide (UO$_2$), one of the most important nuclear fuels, can accumulate excess oxygen atoms as interstitial defects, which significantly impacts thermal properties. In this study, thermal conductivities and inelastic neutron…
Using a low-temperature conductive-tip atomic force microscope in cross-section geometry we have characterized the local transport properties of the metallic electron gas that forms at the interface between LaAlO3 and SrTiO3. At low…
Bulk FeSe is superconducting with a critical temperature $T_c$ $\cong$ 8 K and SrTiO$_3$ is insulating in nature, yet high-temperature superconductivity has been reported at the interface between a single-layer FeSe and SrTiO$_3$. Angle…
Compensation of intrinsic charges is widely used to reduce the bulk conductivity of 3D topological insulators (TIs). Here we use low temperature electron irradiation-induced defects paired with in-situ electrical transport measurements to…
The reduction of dimensionality is an efficient pathway to boost the performances of thermoelectric materials, it leads to the quantum confinement of the carriers and thus to large Seebeck coefficients (S) and it also suppresses the thermal…