Related papers: Computational insights into phase equilibria betwe…
In the present work, we performed calculations of the lattice thermal conductivity (LTC) and electron-phonon interactions in crystalline and amorphous gallium oxide. The calculations were performed by coupling a machine-learned interatomic…
Dynamic control of conductivity and optical properties via atomic structure changes is of tremendous technological importance in information storage. Energy consumption considerations provide a driving force toward employing thin materials…
With the decrease of the dimensions of electronic devices, the role played by electrical contacts is ever increasing, eventually coming to dominate the overall device volume and total resistance. This is especially problematic for…
Two-dimensional election gases (2DEG), arising due to quantum confinement at interfaces between transparent conducting oxides, have received tremendous attention in view of electronic applications. The challenge is to find a material system…
Since the advent of graphene, two-dimensional (2D) materials become very attractive and there is growing interest to explore new 2D beyond graphene. Here, through density functional theory (DFT) calculations, we predict 2D wide-band-gap…
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…
We calculate the Kapitza conductance, which is the proportionality coefficient between heat flux and temperature jump at the interface, for the case of two conducting solids separated by the interface. We show that for conducting solids in…
Interplay of superconductivity and magnetism in a composite prepared of the ferromagnetic half-metallic La_0.67Sr_0.33MnO (LSMO) nanoparticles and the conventional s-wave superconductor MgB_2 has been studied. A few principal effects have…
Proximity effect is used to generate effective topological superconductor by placing strong spin orbit interacting metals with superconducting materials, aiming to produce Majorana zero modes useful for topologically protected quantum…
The 2DEG at the LaAlO3/SrTiO3 interface promises to add a new dimension to emerging electronic devices due to its high tunability. Defects in the form of Oxygen vacancies in titanate surfaces and interfaces, on the other hand, play a key…
Composite oxides have been indeed proved to be valuable materials in optoelectronic applications. The combination of indium oxide and gallium oxide and other materials can lead to enhanced optical and electronic properties, making them…
We present the electronic band structure of the interfaces $YBa_2Cu_3O_7/GaAs$ (direct gap) and $YBa_2Cu_3O_7/AlAs$ (indirect gap) in different configurations calculated using the Density Functional Theory as in the Wien2k code within the…
The superconducting transition temperatures of high-Tc compounds based on copper, iron, ruthenium and certain organic molecules are discovered to be dependent on bond lengths, ionic valences, and Coulomb coupling between electronic bands in…
A high-throughput screening based on first-principles calculations was performed to search for new ternary inorganic electrides. From the available materials database, we identified three new thermodynamically stable materials…
Ga2O3 has attracted great attention for electronic device applications due to its ultra-wide bandgap, high breakdown electric field, and large-area affordable substrates grown from the melt. However, its thermal conductivity is…
We examine the effects of a phenomenological pseudogap on the T=0 K phase diagram of a high temperature superconductor within a self-consistent model which exhibits a d-wave pairing symmetry. At the mean-field level the presence of a…
We have successfully demonstrated Si/GaAs p-n heterostructures using Al2O3 ultra-thin oxide interfacial layers. The band diagram and band offsets were investigated using X-ray photoelectron spectroscopy and confirm a small discontinuity in…
We revisit the phase structure and thermodynamics of QCD in the low temperature and high density region, where a strong, first-order phase transition is expected beyond the critical end point. By solving the quark gap equation in the…
Low-resistance ohmic contacts are a challenge for electronic devices based on two-dimensional materials. We show that an atomically precise junction between a two-dimensional semiconductor and a metallic contact can lead to a…
Beta-phase Ga2O3 has emerged as a promising candidate for a wide range of device applications, including power electronic devices, radio-frequency devices and solar-blind photodetectors. The wide bandgap energy and the predicted high…