Exploring dynamical magnetism with time-dependent density-functional theory: from spin fluctuations to Gilbert damping
نویسندگان
چکیده
We use time-dependent spin-density-functional theory to study dynamical magnetic phenomena. First, we recall that the local-spindensity approximation (LSDA) fails to account correctly for magnetic fluctuations in the paramagnetic state of iron and other itinerant ferromagnets. Next, we construct a gradient-dependent density functional that does not suffer from this problem of the LSDA. This functional is then used to derive, for the first time, the phenomenological Gilbert equation of micromagnetics directly from timedependent density-functional theory. Limitations and extensions of Gilbert damping are discussed on this basis, and some comparisons with phenomenological theories and experiments are made.
منابع مشابه
Vacancy Defects Induced Magnetism in Armchair Graphdiyne Nanoribbon
Spin-polarized electronic and transport properties of Armchair GraphdiyneNanoribbons (A-GDYNR) with single vacancy (SV), two types of configurations fordouble vacancy (DV1, DV2) and multi vacancy (MV) defects are studied by nonequilibriumGreen’s function (NEGF) combined with density functional theory (DFT).The results demonstrate that the A-GDYNR with the SV has the lowe...
متن کاملSpin fluctuations in nearly magnetic metals from ab - initio dynamical spin susceptibility calculations : application to Pd and Cr
Spin fluctuations in nearly magnetic metals from ab-initio dynamical spin susceptibility calculations: application to P d and Cr 95 V 5 Abstract We describe our theoretical formalism and computational scheme for making ab-initio calculations of the dynamic paramagnetic spin susceptibilities of metals and alloys at finite temperatures. Its basis is Time-Dependent Density Functional Theory within...
متن کاملTransverse dynamical magnetic susceptibilities from regular static density functional theory: Evaluation of damping and g shifts of spin excitations
The dynamical transverse magnetic Kohn-Sham susceptibility calculated within time-dependent density functional theory shows a fairly linear behavior for a finite energy window. This observation is used to propose a scheme where the computation of this quantity is greatly simplified. Regular simulations based on static density functional theory can be used to extract the dynamical behavior of th...
متن کاملDynamical exchange interaction from time-dependent spin density functional theory
We report on ab initio time-dependent spin-dynamics simulations for a two-center magnetic molecular complex within the framework of the time-dependent noncollinear spin-density functional theory. In particular, we discuss how the dynamical behavior of the ab initio spin-density in the time domain can be mapped onto a model Hamiltonian based on the classical Heisenberg spin-spin interaction JS1 ...
متن کاملInteraction of atomic hydrogen with monometallic Au(100), Cu(100), Pt(100) surfaces and surface of bimetallic Au@Cu(100), Au@Pt(100) overlayer systems: The role of magnetism
The spin-polarized calculations in generalized gradient approximation density–functional theory (GGA–DFT) have been used to show how the existence of second metals can modify the atomic hydrogen adsorption on Au (100), Cu (100), and Pt (100) surfaces. The computed adsorption energies for the atomic hydrogen adsorbed at the surface coverage of 0.125 ML (monolayer) for the monometallic Au (100), ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2008