Defects and Magnetic Properties: The Cr/Fe(001) Interfaces

1995 ◽  
Vol 384 ◽  
Author(s):  
D. Stoeffler ◽  
A. Vega ◽  
H. Dreyssé ◽  
C. Demangeat
Keyword(s):  
Magnetic Properties ◽  
Band Structure ◽  
Large Reduction ◽  
Band Structure Calculations ◽  
Self Consistent ◽  
Structure Calculations ◽  
Interfacial Atom

ABSTRACTWe report self-consistent band-structure calculations for the magnetism of Cr overlayers adsorbed on Fe(001) in order to study the role played by imperfect Fe-Cr interfaces, at the microscopic and macroscopic scales, on the total magnetisation. The surprisingly large reduction of the total magnetisation (≈ - 5 μB/interfacial atom) recently observed in Cr/Fe(001) through in situ magnetometer measurements is shown to be reproduced only when an interchange of one Cr and Fe monolayer at the interface after deposition of the second Cr monolayer occurs.

Band-structure calculations of BN by the self-consistent variational cellular method

1990 ◽  
Vol 41 (3) ◽  
pp. 1691-1694 ◽  
Author(s):  
E. K. Takahashi ◽  
A. T. Lino ◽  
A. C. Ferraz ◽  
J. R. Leite
Keyword(s):  
Band Structure ◽  
The Self ◽  
Band Structure Calculations ◽  
Self Consistent ◽  
Cellular Method ◽  
Structure Calculations

The exchange interactions in R–Co compounds where R is a rare-earth

2020 ◽  
Vol 34 (04) ◽  
pp. 2050006
Author(s):  
E. Burzo
Keyword(s):  
Magnetic Properties ◽  
Rare Earth ◽  
Band Structure ◽  
Interaction Model ◽  
Exchange Interactions ◽  
Rare Earth Compounds ◽  
Heavy Rare Earth ◽  
Band Structure Calculations ◽  
Structure Calculations ◽  
Curie Temperatures

Starting from band structure calculations and 4f–5d–3d exchange interaction model, the magnetic properties of [Formula: see text], [Formula: see text], [Formula: see text] and both rhombohedral and hexagonal [Formula: see text] series are analyzed. The complex and interdependent exchange interactions, within the spatial extent of the unit cell, are mediated by the R5d band polarizations, [Formula: see text]. The Curie temperatures of the analyzed series show linear dependences, with the same rate for both light and heavy rare-earth compounds, when plotting as function of [Formula: see text] values. The effects of substitutions at R and Co sites are discussed in correlation with changes in R5d band polarizations.

scholarly journals Magnetic Properties and Electronic Structures of Compounds from the Hf-Co Phase System

2007 ◽  
Vol 62 (7-8) ◽  
pp. 452-456 ◽  
Author(s):  
Giorgio Concas ◽  
Francesco Congiu ◽  
Jelena Belošević- Čavor ◽  
Božidar Cekić
Keyword(s):  
Magnetic Properties ◽  
Band Structure ◽  
Density Of States ◽  
Electronic Structures ◽  
Magnetic Measurements ◽  
Plane Waves ◽  
Measured Data ◽  
Phase System ◽  
Band Structure Calculations ◽  
Structure Calculations

Magnetic measurements of molar susceptibilities as a function of temperature in the temperature range between 5 and 400 K were performed for the intermetallic compounds Hf2Co and HfCo2, using a SQUID magnetometer. The density of states at the Fermi level for Hf2Co was evaluated from the measured spin paramagnetic susceptibility. In addition, band structure calculations using the augmented plane waves plus local orbitals (APW+lo) method as implemented in the WIEN2k programme package for the two compounds were done. The obtained results were compared with the measured data.

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