Related papers: Band Offsets at \beta/{\gamma}-$\mathrm{Ga}_{2}\ma…
We show that the growth of the heterostructure LaGaO3/SrTiO3 yields the formation of a highly conductive interface. Our samples were carefully analyzed by high resolution electron microscopy, in order to assess their crystal perfection and…
We present electronic structure calculations of twisted double bilayer graphene (TDBG): A tetralayer graphene structure composed of two AB-stacked graphene bilayers with a relative rotation angle between them. Using first-principles…
The demonstration of a quasi-two-dimensional electron gas (2DEG) and superconducting properties in LaAlO$_3$/SrTiO$_3$ heterostructures has stimulated intense research activity in recent ten years. The 2DEG has unique properties that are…
A bottom-up process has been used to engineer the LaAlO3/SrTiO3 interface atomic composition and locally confine the two-dimensional electron gas to lateral sizes in the order of 100 nm. This is achieved by using SrTiO3(001) substrate…
Equilibrium crystal structures, electron band dispersions and band gap values of layered GaSe and InSe semiconductors, each being represented by four polytypes, are studied via first-principles calculations within the density functional…
We study plasmon modes of the two-dimensional electron gas residing at the interface of band insulators $\rm{LaAlO_3}$ and $\rm{SrTiO_3}$ (LAO/STO) and the plasmon excitations of graphene-LAO/STO double layer as well. Considering the…
Because of its ultrawide bandgap, high breakdown electric field, and large area affordable substrates grown from the melt, beta Ga2O3 has attracted great attention recently for potential applications of power electronics. However, its…
Layered hexagonal Gamma--GeSe, a new polymorph of GeSe synthesized recently, shows strikingly high electronic conductivity in its bulk form (even higher than graphite) while semiconducting in the case of monolayer (1L). In this work, by…
Previous studies of the growth of two-dimensional (2D) gallium selenide (GaSe) by molecular beam epitaxy (MBE) on a gallium arsenide (GaAs) three-dimensional (3D) substrate have reported significant differences in growth morphology,…
Radiation tolerance is determined as the ability of crystalline materials to withstand the accumulation of the radiation induced disorder. Nevertheless, for sufficiently high fluences, in all by far known semiconductors it ends up with…
Oxide heterostructures represent a unique playground for triggering the emergence of novel electronic states and for implementing new device concepts. The discovery of 2D conductivity at the $LaAlO_3/SrTiO_3$ interface has been linking for…
We have constructed microscopic, structurally-relaxed atomistic models of Si/SiO$_2$ superlattices. The structural distortion and oxidation-state characteristics of the interface Si atoms are examined in detail. The role played by the…
Amorphous insulating oxides play a significant role in the contemporary electronic industry. Understanding the band alignment of heterogeneous interfaces containing amorphous structures helps to better control the carrier transport property…
First principles calculations were performed to study the ground state electronic properties of BaFeO3 (BFO) within the density functional theory (DFT). Adopting generalized gradient approximation (GGA) exchange and correlation functional…
The study of electron transport in low-dimensional systems is of importance, not only from a fundamental point of view, but also for future electronic and spintronic devices. In this context heterostructures containing a two-dimensional…
We propose a model for the two-dimensional electron gas formed at the interface of oxide heterostructures that includes a Rashba spin-orbit coupling proportional to an electric field oriented perpendicularly to the interface. Taking into…
Quantum ground states which arise at atomically controlled oxide interfaces provide an opportunity to address key questions in condensed matter physics, including the nature of two-dimensional (2D) metallic behaviour often observed adjacent…
Titanium dioxide (TiO2) is a wide band gap semiconducting material which is promising for photocatalysis. Here we present first-principles calculations to study the pressure dependence of structural and electronic properties of two TiO2…
Atomic-scale ferroelectric thin films hold great promise for high-density, low-power applications but face stability and voltage scaling challenges at extreme thinness. Here, we demonstrate ferroelectricity in single-crystalline…
Two dimensional electron gases (2DEGs) realized at GaAs/AlGaAs single interfaces by molecular-beam epitaxy (MBE) reach mobilities of about 15 million cm^2/Vs if the AlGaAs alloy is grown after the GaAs. Surprisingly, the mobilities may drop…