相关论文: Active-Spin-State-Derived Descriptor for Hydrogen …
The spin-structure functions $g_1$ and $g_2$, and the spin-dependent partial cross-section $\sigma_\mathrm{TT}$ have been extracted from the polarized cross-sections differences, $\Delta…
Within the framework of the kinetic energy driven superconducting mechanism, the dynamical spin response of cuprate superconductors is studied from low-energy to high-energy. The spin self-energy is evaluated explicitly in terms of the…
The surface orientation dependence on the hydrogen evolution reaction (HER) performance of topological crystalline insulator (TCI) SnTe thin films is studied. Their intrinsic activities are determined by linear sweep voltammetry and cyclic…
We discuss, simplify, and improve the spin-dependent correction of L.A. Constantin et al., Phys. Rev. B 84, 233103, for atomization energies, and develop a density parameter of the form $v\propto |\nabla n|/n^{10/9}$, found from the…
Precise knowledge of a quantum system's Hamiltonian is a critical pre-requisite for its use in many quantum information technologies. Here, we report a method for the precise characterization of the non-secular part of the excited-state…
A formalism for spin observables of the reaction $pd\to ~^3He\eta$ is derived in a model independent way. The general case with a full set of six independent spin amplitudes is studied. Furthermore, approximations by five and four spin…
Investigation of dynamical excitations is difficult but crucial to the understanding of many exotic quantum phenomena discovered in quantum materials. This is particularly true for highly frustrated quantum antiferromagnets whose dynamical…
We analyse the ground-state energy and correlation energy of the Heisenberg model as a function of spin, both in the ferromagnetic and in the antiferromagnetic case, and in one, two and three dimensions. First, we present a comparative…
Electronic correlations in the ground state of an idealized infinite-layer high-Tc compound are computed using the ab-initio method of local ansatz. Comparisons are made with the local-density approximation (LDA) results, and the…
This study investigates the structural, electronic, and catalytic properties of pristine and doped C$_4$N$_2$ nanosheets as potential electrocatalysts for the hydrogen evolution reaction. The pristine C$_{36}$N$_{18}$ nanosheets exhibit…
We present the zero-temperature phase diagram of the one-dimensional t2g-orbital Hubbard model, obtained using the density-matrix renormalization group and Lanczos techniques. Emphasis is given to the case for the electron density n=5…
The objective of this paper is to draw attention to a possible new approach for measuring the spin excitation spectrum of a spin array by placing it in intimate contact with the channel of a spin-valve device in an anti-parallel (AP)…
The magnetic spin dynamics and optical properties of EuZn$_2$P$_2$ are studied. Single crystals grown by the Sn-flux method crystallize in the $P\overline{3}m1$ (No.~164) space group and order antiferromagnetically at $T_N=23.5$~K.…
The proximity of superconductivity and antiferromagnetism in the phase diagram of iron arsenides, the apparently weak electron-phonon coupling and the "resonance peak" in the superconducting spin excitation spectrum have fostered the…
The active driving of the electron spin of a color center is known as a method for the hyperpolarization of the surrounding nuclear spin bath and to initialize a system with large number of spins. Here, we investigate the efficiency of this…
By using a Coulomb potential modified by the interaction between the magnetic moments of the electron and proton, we have calculated the energy levels of a hydrogen atom. We have obtained fine structure, hyperfine structure and the Lamb…
The excited electronic states involved in the optical cycle preparation of a pure spin state of the negatively charged NV-defect in diamond are calculated using the HSE06 hybrid density functional and variational optimization of the…
The cross section and rate constants for the title reaction are calculated for all the spin-orbit states of N$^+$($^3P_{J_A}$) using two statistical approaches, one purely adiabatic and the other one mixing quantum capture for the entrance…
Dynamic spin correlation function of the $S=1/2$ antiferromagnetic spin chain with alternating nearest neighbor and competing next nearest neighbor interactions is studied using the numerical diagonalization method. We find characteristics…
A new steady-state kinetic model of ammonia decomposition is presented and analyzed regarding the electronic properties of metal catalysts. The model is based on the classical Temkin-Ertl mechanism and modified in accordance with…