A 'first-principles' theory for magnetic correlations and atomic short-range order in paramagnetic alloys. I

1994 ◽  
Vol 6 (30) ◽  
pp. 5981-6000 ◽  
Author(s):  
M F Ling ◽  
J B Staunton ◽  
D D Johnson
Keyword(s):  
First Principles ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Magnetic Correlations

scholarly journals Magnetically driven short-range order can explain anomalous measurements in CrCoNi

2021 ◽  
Vol 118 (13) ◽  
pp. e2020540118
Author(s):  
Flynn Walsh ◽  
Mark Asta ◽  
Robert O. Ritchie
Keyword(s):  
First Principles ◽  
Short Range ◽  
Short Range Order ◽  
Nearest Neighbor ◽  
Range Order ◽  
Magnetic Interactions ◽  
First Principles Calculations ◽  
Principal Element ◽  
The Impact ◽  
Magnetically Aligned

The presence, nature, and impact of chemical short-range order in the multi-principal element alloy CrCoNi are all topics of current interest and debate. First-principles calculations reveal that its origins are fundamentally magnetic, involving repulsion between like-spin Co–Cr and Cr–Cr pairs that is complemented by the formation of a magnetically aligned sublattice of second-nearest-neighbor Cr atoms. Ordering models following these principles are found to predict otherwise anomalous experimental measurements concerning both magnetization and atomic volumes across a range of compositions. In addition to demonstrating the impact of magnetic interactions and resulting chemical rearrangement, the possible explanation of experiments would imply that short-range order of this type is far more prevalent than previously realized.

Sign in / Sign up

Export Citation Format

Share Document