Carrier-mediated nonlocal ferromagnetic coupling between local magnetic polarons in Fe-doped In2O3and Co-doped ZnO

Abstract

The combined roles of oxygen vacancy and electron doping in mediating local and nonlocal magnetic ordering of Fe doped in In 2 O 3 and Co doped in ZnO have been investigated within first-principles density functional theory. We first show theoretically that two magnetic dopants can be stabilized energetically around an oxygen vacancy, and are ferromagnetically coupled to form a local magnetic polaron.Furthermore, electron doping plays the elegant dual role of further enhancing the ferromagnetic stability of a local polaron, and more crucially, mediating the nonlocal 2 magnetic coupling between two polarons. We finally provide experimental evidence supporting these strong predictions.

Magnetic properties ofIn2O3containingFe3O4nanoparticles

“…In this paper we investigate the relative importance to the magnetic properties of Fe 3 O 4 nanoparticles and magnetically polarized bands of In 2 O 3 [24][25][26][27]. We used a fabrication method that would produce films containing nanoparticles and controlled them by adding Sn.…”

A prediction-calculation method of studying on structures and properties of solid solutions

“…In order to compare conveniently, we define the required energy for single ion from ordered state to disordered state as . x E E ion (2) According to Eq. (2), for Li 2/3 TiS 2 crystal, E ion = 0.11 eV; for Ag 2/3 TiS 2 crystal, E ion = 0.33 eV.…”

“…It is a well-known fact that first-principles calculation method has been greatly successful in studying on the structures and properties of many kinds of materials [1,2]. For a system of crystal, the structure type is the essential prerequisite of performing calculation.…”

TUNING THE "d0" FERROMAGNETISM IN In2O3 QUANTUM DOTS BY DANGLING BONDS AND VACANCY BASED ON THE FIRST-PRINCIPLE CALCULATION

“…15 These DMSs are interesting for fundamental science and applications even without room-temperature FM. [16][17][18] Since the high Curie temperature ferromagnetism of Mn-doped ZnO has been reported, 19 a lot of attention has been focused on oxides-based DMSs doped with 3d-transition metals [20][21][22][23] or nonmagnetic impurity 24,25 for better electron conductivity and FM performance. There are many ways such as transition metal or rare earth elements doped or P -type conversion to make the nonmagnetic metal oxide have FM.…”