相关论文: Four-electron Negative-U Vacancy Defects in Antimo…
Dilute concentrations of antimony (Sb) incorporation into GaN induce strong band-gap bowing and tunable room-temperature photoluminescence from the UV to the green spectral regions. However, the atomistic details of the incorporation of Sb…
We review the remarkable properties, including superconductivity, charge-density-wave ordering, and metal-insulator transitions, of lead- and potassium-doped barium bismuthate. We discuss some of the early theoretical studies of these…
In this work, we use three different numerical techniques to study the charge transport properties of a system in the two-level SU(2) (2LSU2) regime, obtained from an SU(4) model Hamiltonian by introducing orbital mixing of the degenerate…
Understanding the detailed electronic structure of deep defect states in narrow band-gap semiconductors has been a challenging problem. Recently, self-consistent ab initio calculations within density functional theory (DFT) using supercell…
Surface-states of topological insulators are assumed to be robust against non-magnetic defects in the crystal. However, recent theoretical models and experiments indicate that even non-magnetic defects can perturb these states. Our…
The first direct experimental observation of an electric quadrupole ($\textit{E}$2) transition between bound states of an atomic negative ion has been made. The transition was observed in the negative ion of bismuth by resonant (1+1)…
A vector spin model is used to show how frustrations within a multisublattice antiferromagnet such as FeMn can lead to four-fold magnetic anisotropies acting on an exchange coupled ferromagnetic film. Possibilities for the existence of…
An extensive search for low-energy lithium defects in crystalline silicon using density-functional-theory methods and the ab initio random structure searching (AIRSS) method shows that the four-lithium-atom substitutional point defect is…
The magnetotransport behaviour inside the nematic phase of bulk FeSe reveals unusual multiband effects that cannot be reconciled with a simple two-band approximation proposed by surface-sensitive spectroscopic probes. In order to understand…
The semiconducting behaviour and optoelectronic response of gallium nitride is governed by point defect processes, which, despite many years of research, remain poorly understood. The key difficulty in the description of the dominant…
A detailed understanding of charged defects in two-dimensional semiconductors is needed for the development of ultrathin electronic devices. Here, we study negatively charged acceptor impurities in monolayer WS$_2$ using a combination of…
Defect engineering is promising to tailor the physical properties of two-dimensional (2D) semiconductors for function-oriented electronics and optoelectronics. Compared with the extensively studied 2D binary materials, the origin of defects…
The effects of low carrier density and carrier compensation on mixed-state thermal transport are investigated beyond the quasiclassical approximation. It is shown that, contrary to the usual observations, the interplay of the two effects…
A decade of intense research on two-dimensional (2D) atomic crystals has revealed that their properties can differ greatly from those of the parent compound. These differences are governed by changes in the band structure due to quantum…
Elemental substitution is a proven method of Fermi level tuning in topological insulators, which is needed for device applications. Through static and time resolved photoemission, we show that in MnBi$_2$Te$_4$, elemental substitution of Bi…
The bulk of topological insulators is relatively unexplored due to excess contribution of conduction from native defects. Here we investigate the bulk conduction in a Bi2Te3 crystal having reduced defect induced conduction. Our results…
Iron diantimonide is a material with the highest known thermoelectric power. By combining scanning transmission electron microscope study with electronic transport neutron, X-ray scattering and first principle calculation we identify atomic…
We study the electronic and structural properties of substitutional impurities of graphenelike nanoporous materials C$_2$N, $tg$-, and $hg$-C$_3$N$_4$ by means of density functional theory calculations. We consider four types of impurities;…
In recent years, further improvements in the efficiency of Cu$_2$ZnSn(S,Se)$_4$ photovoltaic devices have been hampered due to several materials issues, including cation disorder. Cu$_2$SnS$_3$ is a promising new absorber material that has…
The controlled introduction of covalent sp$^{3}$ defects into semiconducting single-walled carbon nanotubes (SWCNTs) gives rise to exciton localization and red-shifted near-infrared luminescence. The single-photon emission characteristics…