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We present a microscopic investigation of frequently observed impurity-induced states in stoichiometric LiFeAs using low temperature scanning tunneling microscopy and spectroscopy (STM/STS). Our data reveal seven distinct well defined…
Layered LiMnO$_2$ and Li$_2$MnO$_3$ are of great interest for lithium-ion battery cathodes because of their high theoretical capacities. The practical application of these materials is, however, limited due to poor electrochemical…
The goal of this paper is to highlight several issues which are most crucial for the understanding of the ``metal-insulator transition'' in two dimensions. We discuss some common problems in interpreting experimental results on high…
Crystalline CaF2 is drawing huge attentions due to its great potential of being the gate dielectric of two-dimensional (2D) material MOSFETs. It is deemed to be much superior than boron nitride and traditional SiO2 because of its larger…
Combination of different nontrivial topological states in a single material is capable of realizing multiple functionalities and exotic physics, but such materials are still very sparse. We report herein the results of magnetotransport…
Transition metal oxides are considered promising thermoelectric materials for harvesting high-temperature waste heat due to their stability, abundance and low toxicity. Despite their typically strong ionic character, they can exhibit…
Field-plated (FP) depletion-mode MOVPE-grown $\beta$-Ga$_2$O$_3$ lateral MESFETs are realized with superior reverse breakdown voltages and ON currents. A sandwiched SiN$_x$ dielectric field plate design was utilized that prevents…
We succeeded in remarkably nice theoretical description of the temperature dependence of the paramagnetic susceptibility of Ba$_2$YMoO$_6$ in the whole temperature range as originating from the atomic-scale discrete electronic structure of…
Bismuth oxyselenide (Bi$_2$O$_2$Se), a novel quasi-2D charge-carrying semiconductor, is hailed as one of the best emerging platforms for the next generation semiconductor devices. Recent efforts on developing diverse Bi$_2$O$_2$Se…
Passing current at given threshold voltages through a metal/insulator/metal sandwich structure device may change its resistive state. Such resistive switching is unique to nanoscale devices, but its underlying physical mechanism remains…
SrTiO$_3$ is a unique example of a system which exhibits both quantum paraelectricity and superconductivity. Thus, it is expected that the superconducting state is closely related to the intrinsic ferroelectric instability. Indeed, recent…
We theoretically investigate the electronic states in monolayer NbSe$_2$ and develop continuous models to describe these states in Fermi pockets. In $1H$-type metallic transition-metal dichalcogenides(TMDCs), the Femi surface consists of…
We review some of the relevant physical properties of the transition metal mono-silicides with the FeSi structure (CrSi, MnSi, FeSi, CoSi, NiSi, etc) and explore the relation between their structural characteristics and the electronic…
Optically addressable spin defects in wide-bandgap semiconductors are promising building blocks for quantum sensing and quantum networks. Establishing their atomic structure is essential for understanding functionality and enabling…
Two-dimensional (2D) semiconducting transition metal dichalcogenides such as MoS$_2$ have attracted extensive research interests for potential applications in optoelectronics, spintronics, photovoltaics, and catalysis. To harness the…
Modified divacancies in the 4H polytype of silicon carbide (SiC) exhibit enhanced charge stability and spin addressability at room temperature, making them attractive for quantum applications. However, their low formation yield and lack of…
Advancing complementary metal-oxide-semiconductor (CMOS) technology into the sub-1-nm angstr\"om-scale technology nodes is expected to involve alternative semiconductor channel materials, as silicon transistors encounter severe performance…
Contradictory theoretical results for oxygen vacancies in SrTiO$_3$ (STO) were often related to the peculiar properties of STO, which is a $d^0$ transition metal oxide with mixed ionic-covalent bonding. Here, we apply, for the first time,…
We perform first-principles calculations of the quasiparticle defect states, charge transition levels, and formation energies of oxygen vacancies in rutile titanium dioxide. The calculations are done within the recently developed combined…
I study the experimentally observed metal-to-metal structural phase transition in NaTiO$_2$ using density functional calculations. I do not find the previously proposed low-temperature structure energetically favorable with respect to the…