Exchange interaction parameters and adiabatic spin-wave spectra of ferromagnets: A "renormalized magnetic force theorem"

Abstract

The ``magnetic force theorem'' is frequently used to compute exchange interaction parameters and adiabatic spin-wave spectra of ferromagnets. The interest of this approach is that it allows to obtain these results from a non-self-consistent calculation of the (single-electron) band energy only, which greatly reduces the computational effort. However, as discussed by various authors, this approach entail some systematic error. Here, a ``renormalized magnetic force theorem'' allowing to remove this systematic error without increasing significantly the computational effort is presented. For systems with one atom per unit cell, it amounts to a simple renormalization of the spin-wave spectrum. This renormalization greatly improves the agreement between calculated and experimental Curie temperatures of Fe and Ni.

References in corpus (1)

• Ab-initio calculations of exchange interactions, spin-wave stiffness constants, and Curie temperatures of Fe, Co, and Ni

Cited by in corpus (59)

• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Anisotropy, Itineracy, and Magnetic Frustration in High-Tc Iron Pnictides
• Doping Driven ($\pi ,0$) Nesting and Magnetic Properties of Fe${}_{1+x}$Te Superconductors
• Different dimensionality trends in the Landau damping of magnons in iron, cobalt and nickel: time dependent density functional study
• An ab initio effective Hamiltonian for magnetism including longitudinal spin fluctuations
• Calculations of Magnetic Exchange Interactions in Mott--Hubbard Systems
• Microscopic origin of ferromagnetism in trihalides CrCl${}_3$ and CrI${}_3$
• Magnetic susceptibility, exchange interactions and spin-wave spectra in the local spin density approximation
• Exchange interactions and local moment fluctuation corrections in ferromagnets at finite temperatures based on non-collinear density-functional calculations
• Exchange interactions and magnetic force theorem
• Multiscale modeling of ultrafast element-specific magnetization dynamics of ferromagnetic alloys
• Driving ferromagnets into a critical region of a magnetic phase diagram
• Reliability and applicability of magnetic force linear response theory: Numerical parameters, predictability, and orbital resolution
• Mapping the magnetic exchange interactions from first principles: Anisotropy anomaly and application to Fe, Ni, and Co
• Calculated Magnetic Exchange Interactions in High-Temeprature Superconductors
• Ab initio analysis of magnetic properties of prototype B20 chiral magnet FeGe
• Two-site fluctuations and multipolar superexchange interactions in strongly correlated systems
• Type II multiferroic order in two-dimensional transition metal halides from first principles spin-spiral calculations
• Magnetic interactions in strongly correlated systems: spin and orbital contributions
• Momentum-dependent susceptibilities and magnetic exchange in bcc iron from supercell DMFT calculations
• Self-consistent linear response for the spin-orbit interaction related properties
• Local force method for the ab initio tight-binding model with spin-dependent hopping
• Plane wave implementation of the magnetic force theorem for magnetic exchange constants: Application to bulk Fe, Co and Ni
• Ab initio design of quaternary Heusler compounds for reconfigurable magnetic tunnel diodes and transistors
• Magnetic order in the computational 2D materials database (C2DB) from high throughput spin spiral calculations
• Exchange interactions in iron and nickel: DFT+DMFT study in paramagnetic phase
• Non-collinear magnetism induced by frustration in transition-metal nanostructures deposited on surfaces
• Hidden orders in spin-orbit entangled correlated insulators
• Theoretical prediction of antiferromagnetism in layered perovskite Sr${}_2$TcO${}_4$
• Ab-initio calculation of effective exchange interactions, spin waves, and Curie temperature in L2_1- and L1_2-type local moment ferromagnets
• Equation of motion and the constraining field in ab initio spin dynamics
• Competition between Kondo and RKKY exchange couplings in Pu{1-x}Am{x} alloys
• Exchange constants for local spin Hamiltonians from tight-binding models
• Microscopic origins and stability of the ferromagnetism in Co${}_3$Sn${}_2$S${}_2$
• Influence of static correlation on the magnon dynamics of an itinerant ferromagnet with competing exchange interactions -- a first principles study of MnBi
• The origin of ferromagnetic interactions in NaMnCl${}_3$: how the response theory reconciles with Goodenough-Kanamori-Anderson rules
• Linear response theories for interatomic exchange interactions
• Effect of Non-Heisenberg Magnetic Interactions on Defects in Ferromagnetic Iron
• Non-equilibrium itinerant-electron magnetism: a time-dependent mean-field theory
• Ab initio dynamical exchange interactions in frustrated anti-ferromagnets
• Random iron-nickel alloys: From first principles to dynamic spin fluctuation theory
• Spin-lattice interaction parameters from first principles: theory and implementation
• Spin and orbital exchange interactions from Dynamical Mean Field Theory
• Spin dynamics of $3d$ and $4d$ impurities embedded in prototypical topological insulators
• Beyond the random phase approximation for calculating Curie temperatures in ferromagnets: application to Fe, Ni, Co and monolayer CrI3
• Magnetic force theory combined with quasi-particle self-consistent GW method
• Engineering elliptical spin-excitations by complex anisotropy fields in Fe adatoms and dimers on Cu(111)
• Assessing different approaches to ab initio calculations of spin wave stiffness
• Optimized Effective Potential Model for the Double Perovskites Sr2-xYxVMoO6 and Sr2-xYxVTcO6
• Spin-lattice couplings in $3d$ ferromagnets: analysis from first-principles
• Minority magnons and mode branching in monolayer Fe${}_3$GeTe${}_2$
• Linear Response Based Theories for Dzyaloshinskii-Moriya Interactions
• Determining the range of magnetic interactions from the relations between magnon eigenvalues at high-symmetry k points
• Non-linear extension of the dynamical linear response of spins; extended Heisenberg model
• Disordered Correlated Kondo-lattice model
• The mechanism of anisotropic exchange interaction in superconducting iron arsenides
• Exchange interactions in itinerant magnets: the effects of local particle-hole irreducible vertex corrections and SU(2) symmetry of Hund interaction
• Adiabatic spin dynamics and effective exchange interactions from constrained tight-binding electronic structure theory: Beyond the Heisenberg regime
• An effective quantum parameter for strongly correlated metallic ferromagnets