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The subject of the present work is discovery and in-depth characterization of a new class of functional materials. Tuning of the bond polarity and orbital occupation with a goal of establishing balance between localization and delocalization of electrons - ...
One of the fundamental properties of semiconductors is their ability to support highly tunable electric currents in the presence of electric fields or carrier concentration gradients. These properties are described by transport coefficients such as electro ...
Two-dimensional (2D) materials have attracted increasing attention over the last decade owing to their remarkable mechanical, electrical and optical properties. Following the groundbreaking discovery of graphene, a plethora of other atomically-thin materia ...
We report a combined experimental and theoretical investigation that reveals a new mechanism responsible for the enhancement of electron-phonon coupling in doped semiconductors in which multiple inequivalent valleys are simultaneously populated. Using Rama ...
We conduct a detailed investigation of defects in two representative amorphous oxides: amorphous Al2O3 (am-Al2O3) and TiO2 (am-TiO2), by combining ab initio molecular dynamics (MD) simulations and hybrid functional calculations. Our results indicate that o ...
The growing research on two-dimensional materials reveals their exceptional physical properties and enormous potential for future applications and investigation of advanced physics phenomena. They represent the ultimate limit in terms of active channel thi ...
Motivated by recent STM experiments, we explore the magnetic field induced Kondo effect that takes place at symmetry protected level crossings in finite Co adatom chains. We argue that the effective two-level system realized at a level crossing acts as an ...
We investigate the possible occurrence of field-effect induced superconductivity in the hydrogenated (111) diamond surface by first-principles calculations. By computing the band alignment between bulk diamond and the hydrogenated surface, we show that the ...
Two-dimensional materials are emerging as a promising platform for ultrathin channels in field-effect transistors. To this aim, novel high-mobility semiconductors need to be found or engineered. Although extrinsic mechanisms can in general be minimized by ...
Two-dimensional (2D) materials are under intensive investigation recently due to variety of electronic properties, ranging from insulators (h-BN) to semi-metals (graphene), semiconductors (MoS2, WSe2) with wide variability of band-gap and correlated phases ...
