Spin dynamics from a constrained magnetic tight-binding model
نویسندگان
چکیده
A dynamics of the precession coupled atomic moments in tight-binding (TB) approximation is presented. By implementing an angular penalty functional energy that captures magnetic effective fields self-consistently, motion orientation local observed faster than variation their magnitudes. This allows computation are found consistent with Heisenberg's exchange interaction, by comparison classical atomistic spin on Fe, Co and Ni clusters.
منابع مشابه
Tight-binding molecular dynamics simulations
We present the tight-binding molecular dynamics (TBMD) scheme and describe its numerical implementation in a serial FORTRAN-77 code. We discuss how to organize a typical simulation and to control the I/O. An analysis of the computational workload is also presented and discussed. Ó 1998 Elsevier Science B.V. All rights reserved.
متن کاملA tight binding model for water.
We demonstrate for the first time a tight binding model for water incorporating polarizable oxygen atoms. A novel aspect is that we adopt a "ground up" approach in that properties of the monomer and dimer only are fitted. Subsequently we make predictions of the structure and properties of hexamer clusters, ice-XI and liquid water. A particular feature, missing in current tight binding and semie...
متن کاملMagnetic Properties in a Spin-1 Random Transverse Ising Model on Square Lattice
In this paper we investigate the effect of a random transverse field, distributed according to a trimodal distribution, on the phase diagram and magnetic properties of a two-dimensional lattice (square with z=4), ferromagnetic Ising system consisting of magnetic atoms with spin-1. This study is done using the effectivefield theory (EFT) with correlations method. The equations are derived using...
متن کاملA tight-binding model for MoS2 monolayers.
We propose an accurate tight-binding parametrization for the band structure of MoS2 monolayers near the main energy gap. We introduce a generic and straightforward derivation for the band energies equations that could be employed for other monolayer dichalcogenides. A parametrization that includes spin-orbit coupling is also provided. The proposed set of model parameters reproduce both the corr...
متن کاملCalculation for Energy of (111) Surfaces of Palladium in Tight Binding Model
In this work calculation of energetics of transition metal surfaces is presented. The tight-binding model is employed in order to calculate the energetics. The tight-binding basis set is limited to d orbitals which are valid for elements at the end of transition metals series. In our analysis we concentrated on electronic effects at temperature T=0 K, this means that no entropic term will be pr...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical review
سال: 2021
ISSN: ['0556-2813', '1538-4497', '1089-490X']
DOI: https://doi.org/10.1103/physrevb.103.235436