相关论文: Microscopic Insight into the Electronic Structure …
The transition metal nitride BaHfN$_2$, which consists of weakly bonded neutral slabs of closed shell ions, has structural and chemical similarities to other layered nitrides which have impressive superconducting T$_c$ when electron doped:…
Despite the highly porous nature with significantly large surface area, metal organic frameworks (MOFs) can be hardly used in electronic, and optoelectronic devices due to their extremely poor electrical conductivity. Therefore, the study…
The ultrafast dynamics of charge carriers in organic donor-acceptor interfaces are of primary importance to understanding the fundamental properties of these systems. In this work, we focus on a charge-transfer complex formed by…
Understanding the physical properties of unconventional superconductors as well as of other correlated materials presents a formidable challenge. Their unusual evolution with doping, frequency, and temperature has frequently led to…
Recent work on atomic-precision dopant incorporation technologies has led to the creation of both boron and aluminum $\delta$-doped layers in silicon with densities above the solid solubility limit. We use density functional theory to…
Unlike single layer graphene, in the case of $AB$-stacked bilayer graphene (BLG) one can induce a non-zero energy gap by breaking the inversion symmetry between the two layers using a perpendicular electric field. This is an essential…
Simultaneously optimizing performances, processability and fabrication cost of organic electronic materials is the continual source of compromise hindering the development of disruptive applications. In this work, we identified a strategy…
Basal-plane dislocations (BPDs) pose a great challenge to the reliability of bipolar power devices based on the 4H silicon carbide (4H-SiC). It is well established that heavy nitrogen (N) doping promotes the conversion of BPDs to threading…
Electronic and optical properties of doped organic semiconductors are dominated by local interactions between donor and acceptor molecules. However, when such systems are in crystalline form, long-range order competes against short-range…
We present an angle resolved photoemission (ARPES) doping dependence study of the n-type cuprate superconductor Nd_2-xCe_xCuO_4, from the half-filled Mott-insulator to the T_c=24K superconductor. In Nd2CuO4, we reveal the charge-transfer…
Electronic structures of undoped and doped cyclic polythiophene (PT) are studied using modified $\sigma$-bond compressibility model. Cyclic PT doped with odd number of bipolarons creates an aromatic polyene backbone containing (4$n$+2)…
It has been more than 40 years since superconductivity was discovered in organic conductors, and the way scientists view organic superconductors has changed over time. At first, the fact that organic conductors exhibit superconductivity was…
Superconductivity of doped SrTiO3 is proven to be a particular case of the broader concept of the non-adiabatic pairing mediated by phonons with frequency comparable or larger the Fermi energy. We argue that, for carrier concentrations…
Acceptor and donor doping is a standard for tailoring semiconductors. More recently, doping was adapted to optimize the behavior at ferroelectric domain walls. In contrast to more than a century of research on semiconductors, the impact of…
The doping of graphene to tune its electronic structure is essential for its further use in carbon based electronics. Adapting strategies from classical silicon based semiconductor technology, we use the incorporation of heteroatoms in the…
In this article, we use a many-body approach to study the absorption spectra of electron-doped two-dimensional semiconductors. Optical absorption is modeled by a many-body scattering Hamiltonian which describes an exciton immersed in a…
We study a mechanism to induce superconductivity in atomically thin semiconductors where excitons mediate an effective attraction between electrons. Our model includes interaction effects beyond the paradigm of phonon-mediated…
Advanced theoretical investigations are crucial for understanding the structural growth mechanisms, optoelectronic properties, and photocatalytic activity of photoelectrodes for efficient photoelectrochemical water splitting. In this work,…
Landau Fermi liquid theory, with its pivotal assertion that electrons in metals can be simply understood as independent particles with effective masses replacing the free electron mass, has been astonishingly successful. This is true…
Molecular systems containing donor-bridge-acceptor sites or molecular antennas constitute promising candidates for organic photovoltaic device implementation. Photo-induced electron transfer in multi-chromophore molecular systems is defined…