相关论文: Charge transfer transitions and circular magnetoop…

In this study, we investigate the metal-insulator transition of charge transfer type in high-temperature cuprates. We first show that we must introduce a new band parameter in the three-band d-p model to reproduce the Fermi surface of high…

Transition metal clusters have a broad spectrum of potential applications in electronic and magnetic devices owing to their unique properties. Protective shells such as fullerene C$_{80}$ can be introduced to improve their stability. In…

Determining the optical and electronic properties of strongly anisotropic materials with symmetries below orthorhombic remains challenging; generalized ellipsometry is a powerful technique in this regard. Here, we employ Mueller matrix…

The microscopic origin of metamagnetism and metamagnetic transitions in strongly anisotropic antiferromagnets is investigated within a quantum mechanical theory of correlated electrons. To this end the Hubbard model with staggered…

The accurate description of open-shell molecules, in particular of transition metal complexes and clusters, is still an important challenge for quantum chemistry. While density-functional theory (DFT) is widely applied in this area, the…

We study charge transfer between donor-acceptor molecules subject to a mirror symmetry constraint in the presence of a dissipative environment. The symmetry requirement leads to the breakdown of the standard single reaction coordinate…

We propose a phenomenological spin fluctuation theory for antiferromagnetic quantum tricritical point (QTCP), where the first-order phase transition changes into the continuous one at zero temperature. Under magnetic fields, ferromagnetic…

Spintronics is the generic term that describes magnetic systems coupled to an electric generator, taking into account the spin attached to the charge carriers. For this topical review of {\it Spin Caloritronics}, we focus our attention on…

Ultrathin CrSBr flakes are exfoliated \emph{in situ} on Au(111) and Ag(111) and their electronic structure is studied by angle-resolved photoemission spectroscopy. The thin flakes' electronic properties are drastically different from those…

We critically reexamine the problem of interatomic exchange interactions, which describe the total energy change caused by infinitesimal rotations of spins near some equilibrium state. For the small variations, such interactions can be…

The predictions of the mode-coupling theory of the glass transition (MCT) for the tagged-particle density-correlation functions and the mean-squared displacement curves are compared quantitatively and in detail to results from Newtonian-…

Electrical transport properties near an electronic Ising-nematic quantum critical point in two dimensions are of both theoretical and experimental interest. In this work, we derive a kinetic equation valid in a broad regime near the quantum…

We present a theory of the magnetotransport in weakly disordered metals close to an antiferromagnetic quantum-critical point. The anisotropic scattering from critical spin fluctuations is strongly influenced by weak but isotropic scattering…

Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…

In this overview we provide a general introduction to metal-insulator transitions, with focus on specific mechanisms that can localize the electrons in absence of magnetic or charge ordering, and produce well defined quantum critical…

One view of the cuprate high-transition temperature (high-Tc) superconductors is that they are conventional superconductors where the pairing occurs between weakly interacting quasiparticles, which stand in one-to-one correspondence with…

Nuclear magnetic resonance (NMR) shifts, if stripped off their uncertainties, must hold key information about the electronic fluid in the cuprates. The early shift interpretation that favored a single-fluid scenario will be reviewed, as…

We implement a multi-orbital cluster dynamical mean-field theory (DMFT), by improving a sample-update algorithm in the continuous-time quantum Monte Carlo method based on the interaction expansion. The proposed sampling scheme for the…

We consider a system of particles interacting via a purely repulsive, soft-core potential recently introduced to model effective pair interactions between dendrimers, which is expected to lead to the formation of crystals with multiple…

Higher-order electronic transitions of all inorganic lead halide perovskite quantum dots (QDs) (CsPbX$_3$: X = Cl, Br, I) are hardly detected by traditional spectroscopic techniques due to the condensed electronic level of QDs. This work…