Sharad Mahatara

• PostDoc Position at National Renewable Energy Laboratory

Epitaxial lattice matching is an important condition for the formation of coherent interfaces with low defect densities. However, lattice-matched substrates with the same crystal structure as the active layer are often not available, suggesting opportunities for utilizing heterostructural interfaces. For example, at high Al contents that are intere...

Recent high-throughput computational searches have predicted many novel ternary nitride compounds providing new opportunities for materials discovery in underexplored phase spaces. Nevertheless, there are hardly any predictions and/or syntheses that incorporate only transition metals into new ternary nitrides. Here, we report on the synthesis, stru...

Recent high-throughput computational searches have predicted many novel ternary nitride compounds providing new opportunities for materials discovery in under explored phase spaces. Nevertheless, there are hardly any predictions and/or syntheses that incorporate only transition metals into new ternary nitrides. Here, we report on the synthesis, str...

Two-dimensional electron gases (2DEGs) realized at perovskite oxide interfaces offer great promise for high charge carrier concentrations and low-loss charge transport. BaSnO 3 (BSO) and SrSnO 3 (SSO) are well-known wide bandgap semiconductors for their high mobility due to the Sn- 5s -dominated conduction band minimum (CBM). Ta ⁴⁺ with a 5d ¹ vale...

Electronics enable many modern technologies, such as cell phones, laptops, and kitchen appliances. Unfortunately, electronic losses are unavoidable, and electronic devices must at least occasionally be connected to an external energy source for recharging and/or continued operation. Therefore, the question arises of how to reduce electronic losses...

The accelerated progress in artificial intelligence encourages sophisticated deep learning methods in predicting stock prices. In the meantime, easy accessibility of the stock market in the palm of one’s hand has made its behavior more fuzzy, volatile, and complex than ever. The world is looking at an accurate and reliable model that uses text and...

Oxide two-dimensional electron gases (2DEGs) promise high charge carrier concentrations and low-loss electronic transport in semiconductors such as BaSnO3 (BSO). ACBN0 computations for BSO/SrNbO3 (SNO) interfaces show Nb-4d electron injection into extended Sn-5s electronic states. The conduction band minimum consists of Sn-5s states ∼1.2 eV below t...

Oxide two-dimensional electron gases (2DEGs) promise high charge carrier concentrations and low-loss electronic transport in semiconductors such as BaSnO$_{3}$ (BSO). ACBN0 computations for BSO/SrNbO$_{3}$ (SNO) interfaces show Nb-4$\textit{d}$ electron injection into extended Sn-5$\textit{s}$ electronic states. The conduction band minimum consists...

The realization of robust intrinsic ferromagnetism in two-dimensional materials with the possibility to support topologically non-trivial states has provided the fertile ground for novel physics and next-generation spintronics and quantum computing applications. In this contribution, we investigated the formation of topological states and magnetism...

The electronic properties of β-PbO2, have been controversial for several decades. Experiments find metallic behavior, attributed to oxygen vacancies, to indirect semiconducting for stoichiometric samples with a gap of 0.61 eV. Theory leads to similar ambiguities, and predicts this phase to be metallic (PBE, HSE06) or to possess a small bandgap (HSE...

Tight-binding models provide a conceptually transparent and computationally efficient method to represent the electronic properties of materials. With AFLOW$\pi$ we introduce a framework for high-throughput first principles calculations that automatically generates tight-binding hamiltonians without any additional input. Several additional features...

Tight-binding models provide a conceptually transparent and computationally efficient method to represent the electronic properties of materials. With AFLOW$\pi$ we introduce a framework for high-throughput first principles calculations that automatically generates tight-binding hamiltonians without any additional input. Several additional features...