相关论文: Negative charge transfer energy in correlated comp…
Cubic gauche nitrogen (cg-N) with a three-dimensional network of N-N single bonds attracted lots of attentions in last decades, since it theoretically has five times larger energy than TNT. While, extreme environments of high pressure or…
We explore the possibility that the ionic electron polarizabilities of the oxygen ions in the cuprates and the bismutates and the polarizabilities of As and Se ions in the iron pnictides contribute to charge carrier pairing leading to high…
In the last decade, a large number of studies at the experimental level in electrochemical systems for energy storage devices have been performed. However, theoretical approaches are highly desirable to understand the physicochemical…
The hybrid organic-inorganic lead halide perovskite materials have emerged as remarkable materials for photovoltaic applications. Their strengths include good electric transport properties in spite of the disorder inherent in them.…
One-electron energy levels are studied for a configuration of two positive charges inside an octahedral cage, the vertices of the cage being occupied by atoms with a partially filled shell. Although ground states correspond to large…
The possibility to exploit quantum coherence to strongly enhance the efficiency of charge transport in solid state devices working at ambient conditions would pave the way to disruptive technological applications. In this work, we tackle…
We theoretically study quasi-two-dimensional nickel compounds, where the nickel ions assume Ni$^{2+}$ $d^8$ valence state and feature a low-spin $S=0$ ground state quasidegenerate with $S=1$ ionic excitations. Such a level structure is…
Charge carrier scattering is critical to the electrical properties of two-dimensional materials such as graphene, transition metal dichalcogenide monolayers, black phosphorene, and tellurene. Beyond pristine two-dimensional materials,…
In this paper, an analytical predictive model of the negative capacitance (NC) effect in symmetric long channel double-gate junctionless transistor is proposed based on a charge-based model. In particular, we have investigated the effect of…
Understanding the physics of structurally and chemically complex transition-metal oxide and polyanionic materials such as those used for battery electrodes is challenging, even at the level of pristine compounds. Yet these materials are…
Despite the great promise of carbon nanotube field effect transistors (CNT FETs) for applications in chemical and biochemical detection, a quantitative understanding of sensor responses is lacking. To explore the role of electrostatics in…
Using the transversal vibration resonance of a suspended carbon nanotube as charge detector for its embedded quantum dot, we investigate the case of strong Kondo correlations between a quantum dot and its leads. We demonstrate that even…
A microscopic theory for the interaction of carriers with LO phonons is used to study the ultrafast carrier dynamics in nitride-based semiconductor quantum dots. It is shown that the efficiency of scattering processes is directly linked to…
The archetypical strongly correlated Mott-phenomena compound V2O3 is known to show a paramagnetic metal-insulator transition driven by doping with chromium atoms and/or (negative) pressure. Via charge self-consistent density-functional…
We review recent progresses in the theoretical description of correlation and quantum fluctuation phenomena in charge transport through single molecules, quantum dots, and quantum wires. A variety of physical phenomena is addressed,…
We investigated the peculiarities of non-equilibrium charge states and spin configurations in the system of two strongly coupled quantum dots (QDs) weakly connected to the electrodes in the presence of Coulomb correlations. We analyzed the…
A compact analytical model is developed for the mobile charge density of polar multiple channel field effect transistors. Two dimensional electron and hole gases can be potentially induced by spontaneous and piezoelectric polarization in…
We study charge transport in voltage-biased single-channel junctions involving helical superconductors with finite Cooper pair momentum. For a Josephson junction, the equilibrium current-phase relation shows a superconducting diode effect:…
An important physical process unique to neutral-ion systems is the charge-transfer (CT) reaction. Here, we present measurements of and models for CT processes between co-trapped ultracold Ca atoms and Yb ions under well-controlled…
We present a simple model of electrical transport through a metal-molecule-metal nanojunction that includes charging effects as well as aspects of the electronic structure of the molecule. The interplay of a large charging energy and an…