From the electronic structure to the macroscopic magnetic behaviour of rare-earth intermetallics: a combination of ab initio electron theory with statistical mechanics and elasticity theory

2002 ◽  
Vol 321 (1-4) ◽  
pp. 198-203 ◽  
Author(s):  
M. Fähnle ◽  
F. Welsch
Keyword(s):  
Electronic Structure ◽  
Rare Earth ◽  
Statistical Mechanics ◽  
Ab Initio ◽  
Elasticity Theory ◽  
Magnetic Behaviour ◽  
Electron Theory ◽  
Rare Earth Intermetallics

ChemInform Abstract: Ab initio Electron Theory for Hard-Magnetic Rare-Earth Transition Metal Intermetallics

ChemInform ◽  
2010 ◽  
Vol 25 (4) ◽  
pp. no-no
Author(s):  
M. FOEHNLE ◽  
K. HUMMLER ◽  
M. LIEBS ◽  
T. BEUERLE
Keyword(s):  
Rare Earth ◽  
Transition Metal ◽  
Ab Initio ◽  
Electron Theory ◽  
Magnetic Rare Earth

Electronic structure of cerium and light rare-earth intermetallics

1986 ◽  
Vol 35 (3) ◽  
pp. 275-316 ◽  
Author(s):  
J.W. Allen ◽  
S.J. Oh ◽  
O. Gunnarsson ◽  
K. Schönhammer ◽  
M.B. Maple ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Rare Earth ◽  
Light Rare Earth ◽  
Rare Earth Intermetallics

Ab initio electronic structure of rare earth orthoferrites

2005 ◽  
Vol 290-291 ◽  
pp. 396-399 ◽  
Author(s):  
M. Iglesias ◽  
A. Rodríguez ◽  
P. Blaha ◽  
V. Pardo ◽  
D. Baldomir ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Rare Earth ◽  
Ab Initio ◽  
Ab Initio Electronic Structure

Ab initio electron theory for hard-magnetic rare-earth-transition-metal intermetallics

1993 ◽  
Vol 57 (1) ◽  
pp. 67-76 ◽  
Author(s):  
M. F�hnle ◽  
K. Hummler ◽  
M. Liebs ◽  
T. Beuerle
Keyword(s):  
Rare Earth ◽  
Transition Metal ◽  
Ab Initio ◽  
Electron Theory ◽  
Magnetic Rare Earth

scholarly journals The electronic origins of the “rare earth” texture effect in magnesium alloys

2021 ◽  
Author(s):  
Reza Mahjoub ◽  
Nikki Stanford
Keyword(s):  
Electronic Structure ◽  
Rare Earth ◽  
Grain Boundary ◽  
Ab Initio ◽  
Grain Boundaries ◽  
Magnesium Alloys ◽  
Ab Initio Simulations ◽  
Texture Effect ◽  
Complex Boundaries ◽  
Re Elements

Abstract Although magnesium alloys are lightweight, recyclable and relatively cheap, they suffer from poor ductility. This can be improved by the addition of rare earth (RE) elements, and this is now a well-established criterion for wrought alloy design. It is notable that this behavior is largely restricted to the lanthanides, but no hypothesis is yet available to explain why other elements do not have the same effect. To answer this question, ab initio simulations of crystallographically complex boundaries have been undertaken to examine the electronic origin of the RE effect. While the electronic structure provided strong bonding between the RE elements and their Mg surroundings, local disruption in atomic arrangement at the grain boundaries was found to diminish this effect. This work shows quantifiable changes in electronic structure of solutes resulting from grain boundary crystallography, and is suggested to be a contributing factor to the RE texture effect.

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