Theoretical study of the magnetic ordering in rare-earth compounds with face-centered-cubic structure

Abstract

Theoretical study of the magnetic ordering in rare-earth compounds with face-centered-cubic structure" (2004 We present a detailed theoretical study of the magnetic ordering in heavy rare-earth compounds with a face-centered-cubic structure. In addition to the exchange interactions which are counted up to the third nearest neighbors, the effect of the dipolar interactions and magnetic anisotropic effect are also included in our model Hamiltonian. The interactions parameters are obtained from first-principles band-structure calculations by fitting the total energies of different magnetic configurations to the Heisenberg Model. Thus from utilizing the Monte Carlo simulations, we explained the formation of different magnetic structures in the rare-earth compounds.

Magnetic properties of ErN films

“…A half metallic ground state has also been obtained in a spin polarized charge-self-consistent density functional based tight binding (DFTB) approach [16]. Both the electronic structure and magnetic ordering have been investigated theoretically in ErAs and ErN [17]. An antiferromagnetic ordering was predicted for both compounds in agreement with the experiment for ErAs but not for ErN.…”

Electronic, magnetic and transport properties of rare-earth monopnictides

“…S = 3/2, L = 6, J = 15/2. Only ErAs has been studied extensively experimentally [50,51,84], whereas theoretical studies of all of the Er monopnictides have been undertaken [35,36,70,84,85,87]. Except for ErN, all Er monopnictides have AFM ground states and have similar electronic structures and physical properties, nonetheless, here we present our LSDA + U band calculations for ErN and ErP in the ferromagnetic state (fi gure 13).…”

“…In addition, clear evidence of 4f-5d hybridization was found [86]. Later, with the same theoretical methodology, the electronic structure and magnetic ordering of ErN and ErAs was investigated [87].…”

Magnetic ordering in Gd monopnictides: Indirect exchange versus superexchange interaction

“…[1][2][3][4][5][6][7][8][9][10][11][12][13][14] This interest is enhanced by the wide industrial applications of the rare-earth pnictides 15 with possible use as spin filters and robust magnetoresistive materials for spintronics. 16 Even after more than 40 years efforts, 1-14 a thorough understanding of the magnetic ordering of RX compounds, with simple NaCl-type structure, is still elusive.…”