相关论文: Intrinsic defects and conduction characteristics o…

Defect energy formation, lattice distortions and electronic structure of cubic In2O3 with Sn, Ga and O impurities were theoretically investigated using density functional theory. Different types of point defects, consisting of 1 to 4 atoms…

We report 45% enhancement in the thermoelectric figure of merit, ZT of Sr3SnO via Ca substitution. First-principles calculations have been performed to study the electronic and thermoelectric transport properties of Ca substituted Sr3SnO…

Although thermionic emission has been studied for more than 100 years, recent interest in novel electron devices for military and civilian use has led to a surge in demand for cathodes with enhanced emission properties (e.g. higher current…

With a large band gap and a single Dirac cone responsible for the topological surface states, Bi2Se3 is widely regarded as a prototypical 3D topological insulator. Further applications of the bulk material has, however, been hindered by…

In2O3 is an n-type transparent semiconducting oxide possessing a surface electron accumulation layer (SEAL) like several other relevant semiconductors, such as InAs, InN, SnO2, and ZnO. Even though the SEAL is within the core of the…

We report a study in which the effect of defects/impurities, growth process, off-stoichiometry, and presence of impurity phases on the superconducting properties of noncentrosymmetric CePt3Si is analysed by means of the temperature…

Structural and thermoelectric properties of metallic and semiconducting Sb2Te3 are reported. X-Ray diffraction and Raman spectroscopy studies reveal that semiconducting sample have higher defect density. Nature and origin of possible…

Resistivities of heavy-fermion insulators typically saturate below a characteristic temperature $T^*$. For some, metallic surface states, potentially from a non-trivial bulk topology, are a likely source of residual conduction. Here, we…

The compression of SH$_2$ and its subsequent decomposition to SH$_3$, presumably in a cubic Im$\overline{3}$m structure, has lead to the discovery of conventional superconductivity with the highest measured and confirmed $T_c$ to date, 203…

We discuss the applicability of the pseudopotential-like self-interaction correction (pSIC) to the study of defect energetics and electronic structure of In2O3. Our results predict that substitutional (at oxygen sites) and interstitial (at…

We report the density-functional calculations that systematically clarify the stable forms of carbon-related defects and their energy levels in amorphous SiO$_2$ using the melt-quench technique in molecular dynamics. Considering the…

Interfaces between transition-metal oxides are able to host two-dimensional electron gases (2DEGs) and exhibit exotic quantum phenomena. Here we report the observation of superconductivity below 230 mK for the heterostructure composed of…

Thermionic electron emission cathodes are critical components of various high power and high frequency vacuum electronic devices, electron microscopes, e-beam lithographic devices, and thermionic energy converters, which all demand an…

We have studied intrinsic defect complexes in In$_2$O$_3$ using ab initio random structure searching (AIRSS). Our first-principles density-functional-theory calculations predict the thermodynamic stability of several novel defect…

Transition metal oxides display a great variety of quantum electronic behaviours where correlations often play an important role. The achievement of high quality epitaxial interfaces involving such materials gives a unique opportunity to…

By studying the temperature-dependent behavior of electron thermal conductivity (k) in a 3.2 nm-thin film, we quantify the extremely confined defect-electron scattering and reveal the intrinsic phonon-electron scattering that is shared by…

Using a combination of first-principles simulations, based on the density functional theory and Boltzmann's semiclassical theory, we have calculated the transport and thermoelectric properties of the half-metallic two dimensional electron…

The transparent semiconductor In$_{2}$O$_{3}$ is a technologically important material. It combines optical transparency in the visible frequency range and sizeable electric conductivity. We present a study of thermal conductivity of…

Emergent phenomena, including superconductivity and magnetism, found in the two-dimensional electron liquid (2-DEL) at the interface between the insulators LaAlO3 and SrTiO3 distinguish this rich system from conventional two-dimensional…

We investigate correlation physics in high-density, two-dimensional electron liquids that reside in narrow SrTiO3 quantum wells. The quantum wells are remotely doped via an interfacial polar discontinuity and the three-dimensional (3D)…