Related papers: First-principles Modelling of SrTiO3 based Oxides …
SrTiO3 is a textbook quantum paraelectric, with ferroelectricity purportedly suppressed by quantum fluctuations of ionic positions down to the lowest temperatures. The precise real space structure of SrTiO3 at low temperature, however, has…
Heterostructures made of transition metal oxides are new tailor-made materials which are attracting much attention. We have constructed a 6-band k.p Hamiltonian and used it within the envelope function method to calculate the subband…
Electrical transport in oxide thin films under high pressure remains largely unexplored due to the lack of a universal experimental strategy. Here we develop an approach that enables high-pressure transport measurements in freestanding…
We have investigated the electronic, vibrational, optical, thermal and piezoelectric properties of LiNbO$_3$, LiTaO$_3$ and Li$_2$NbTaO$_6$ using the first-principles calculation based on the density functional theory. It also shows…
We present the synthesis and study of the magnetic and electronic properties of NiFe2O4/{\gamma}-Al2O3/SrTiO3 heterostructure. The {\gamma}-Al2O3/SrTiO3 interface hosts a high-mobility two-dimensional electron gas (2DEG) with large…
The conductance confined at the interface of complex oxide heterostructures provides new opportunities to explore nanoelectronic as well as nanoionic devices. Herein we show that metallic interfaces can be realized in SrTiO3-based…
Oxides have many potentially desirable characteristics for thermoelectric applications, including low cost and stability at high temperatures, but thus far there are few known high $zT$ $n$-type oxide thermoelectrics. In this work, we use…
The two-dimensional electron liquid which forms between the band insulators LaAlO3 (LAO) and SrTiO3 (STO) is a promising component for oxide electronics, but the requirement of using single crystal SrTiO3 substrates for the growth limits…
Thermoelectric materials can generate electricity directly utilizing heat and thus, they are considered to be eco-friendly energy resources. The thermoelectric efficiency at low temperatures is impractically small, except only a few bulk…
SrRuO3 (SRO), a conducting transition metal oxide, is commonly used for engineering domains in BiFeO3. New oxide devices can be envisioned by integrating SRO with an oxide semiconductor as Nb doped SrTiO3 (Nb:STO). Using a three-terminal…
The emerging Ni-based superconducting oxide thin films are rather intriguing to the entire condensed matter physics. Here we report some brief experimental results on transport measurements for a 14-nm-thick superconducting…
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…
An atomistic effective Hamiltonian technique is used to investigate the finite-temperature energy storage properties of a ferroelectric nanocomposite consisting of an array of BaTiO$_{3}$ nanowires embedded in a SrTiO$_{3}$ matrix, for…
Two dimensional electron gases (2DEGs) at a oxide heterostructures are attracting considerable attention, as these might substitute conventional semiconductors for novel electronic devices [1]. Here we present a minimal set-up for such a…
Understanding band alignment and charge transfer at complex oxide interfaces is critical to tailoring and utilizing their diverse functionality. Towards this goal, we design and experimentally validate both Ohmic- and Schottky-like charge…
We develop a first-principles approach for the treatment of vibronic interactions in solids that overcomes the main limitations of state-of-the-art electron-phonon coupling formalisms. In particular, anharmonic effects in the nuclear…
We investigate the structural, electronic, transport, and thermoelectric properties of LaNiO$_3$/SrTiO$_3(001)$ superlattices containing either exclusively $n$- or $p$-type interfaces or coupled interfaces of opposite polarity by using…
Oxide heterostructures have repeatedly been shown to display apical properties at the interfaces, some of which favorable to the formation of two-dimensional electron systems, as well as high transition temperature superconductivity. In…
The emerging material class of complex-oxides, where manipulation of physical properties lead to new functionalities at their heterointerfaces, is expected to open new frontiers in Spintronics. For example, SrRuO_3 is a promising material…
Understanding how to optimize electronic band structures for thermoelectrics is a topic of long-standing interest in the community. Prior models have been limited to simplified bands and/or scattering models. In this study, we apply more…