相关论文: Calculation of Berry curvature using nonorthogonal…
The diagonal nonadiabatic term arising from the Born--Oppenheimer wave-function ansatz contains contributions from a vector and scalar potential. The former is provably zero when the wave function can be taken to be real valued, and the…
The dynamics of a molecule in a magnetic field is significantly different form its zero-field counterpart. One important difference in the presence of a field is the Lorentz force acting on the nuclei, which can be decomposed as the sum of…
We propose and implement a particularly effective method for calculating the Berry curvature arising from adiabatic evolution of Bloch states in wave vector k space. The method exploits a unique feature of the Korringa-Kohn-Rostoker (KKR)…
Analytical calculations and micromagnetic simulations are used to determine the Berry curvature and topological Hall effect (THE) due to conduction electrons in small ferromagnetic particles. Our focus is on small particles of…
The intrinsic spin Hall conductivity and the anomalous Hall conductivity of ferromagnetic L1$_0$-CoPt are studied using first principle calculations of the spin Berry and Berry curvatures, respectively. We find that the Berry curvature and…
Berry curvature fundamentally dictates the topological ground state, anomalous transport and optical properties of quantum materials. However, directly mapping its momentum-space distribution in real materials remains an outstanding…
In this study, we implemented a finite-difference algorithm for computing anomalous Hall and Nernst conductivity. Based on the expression to evaluate the Berry curvature in an insulating system [J. Phys. Soc. Jpn. 74 1674(2005)], we…
The Berry curvature and its descendant, the Berry phase, play an important role in quantum mechanics. They can be used to understand the Aharonov-Bohm effect, define topological Chern numbers, and generally to investigate the geometric…
The derivatives of the Berry curvature $\Omega$ and intrinsic orbital magnetic moment m in momentum space are relevant to various problems, including the nonlinear anomalous Hall effect and magneto-transport within the Boltzmann-equation…
The Berry curvature is a fundamental concept describing topological order of quantum systems. While it can be analytically tractable in non-interacting systems, numerical simulations are necessary in interacting systems. We present a…
A valley-contrasting Berry curvature in bilayer transition metal dichalcogenides with spin-orbit coupling can generate valley magnetization when the inversion symmetry is broken, for example, by an electric field, regardless of…
The eigenvalues of a parameter-dependent Hamiltonian matrix form a band structure in parameter space. In such $N$-band systems, the quantum geometric tensor (QGT), consisting of the Berry curvature and quantum metric tensors, is usually…
The Berry connection and curvature are key components of electronic structure calculations for atoms and molecules in magnetic fields. They ensure the correct translational behavior of the effective nuclear Hamiltonian and the correct…
Non-adiabatic coupling matrix elements (NACMEs) are important in quantum chemistry, particularly for molecular dynamics methods such as surface hopping. However, NACMEs are gauge dependent. This presents a difficulty for their calculation…
Berry curvatures are computed for a set of Heusler compounds using density functional (DF) calculations and the wave functions that DF provide. The anomalous Hall conductivity is obtained from the Berry curvatures. It is compared with…
Under the Born-Oppenheimer approximation, the electronic ground state evolves adiabatically and can accumulate geometrical phases characterized by the molecular Berry curvature. In this work, we study the effect of the molecular Berry…
We experimentally observe the quantum geometric tensor, namely the quantum metric and the Berry curvature, for a square lattice of radiatively coupled plasmonic nanoparticles. We observe a non-zero Berry curvature and show that it arises…
We develop a rigorous and highly accurate technique for calculation of the Berry phase in systems with a quadratic Hamiltonian within the context of the Kitaev honeycomb lattice model. The method is based on the recently found solution of…
While the intrinsic anomalous Hall conductivity is normally written in terms of an integral of the electronic Berry curvature over the occupied portions of the Brillouin zone, Haldane has recently pointed out that this quantity (or more…
In quantum mechanics it is often required to describe in a semiclassical approximation the motion of particles moving within a given energy band. Such a representation leads to the appearance of an analogues of fictitious forces in the…