Magnetic Cluster Expansion Study of Chromium Precipitates in Fe-Cr Alloys

2011 ◽  
Vol 172-174 ◽  
pp. 1002-1007 ◽  
Author(s):  
Mikhail Yu. Lavrentiev ◽  
Duc Nguyen Manh ◽  
Sergei L. Dudarev
Keyword(s):  
Cluster Expansion ◽  
Magnetic Order ◽  
Magnetic Ordering ◽  
Expansion Method ◽  
Temperature Dependent ◽  
Magnetic Cluster ◽  
Cluster Expansion Method ◽  
Atom Pairs ◽  
Characteristic Variation ◽  
Magnetic Specific Heat

Magnetic Cluster Expansion method is applied to the investigation of magnetic properties of Fe-Cr alloys treated as a function of Cr content, the spatial distribution of Cr atoms, and temperature. Random Fe-Cr alloys and Cr clusters formed in concentrated alloys are analyzed. We find significant differences between the types of magnetic order characterizing those systems, which are reflected in the characteristic variation of the temperature-dependent magnetic specific heat. Simulations show that in random Fe-Cr alloys and in alloys containing Cr clusters, the interplay between antiferromagnetic interactions characterizing Fe-Cr and Cr-Cr atom pairs gives rise to unusual patterns of finite temperature magnetic ordering.

Utilization of the Cluster Expansion Method for Doping the Li2Mn1-XTMxO3 (TM=Ni, Co, Cr and Ru) Cathode Material

2021 ◽  
Vol MA2021-02 (3) ◽  
pp. 310-310
Author(s):  
Mamonamane Gratitude Mphahlele ◽  
Mallang Cliffton Masedi ◽  
Phuti Esrom Ngoepe ◽  
Raesibe Sylvia Ledwaba
Keyword(s):  
Cathode Material ◽  
Cluster Expansion ◽  
Expansion Method ◽  
Cluster Expansion Method

scholarly journals Anion order in perovskite oxynitrides AMO2N (A = Ba, Sr, Ca; M = Ta, Nb): a first-principles based investigation

RSC Advances ◽  
2020 ◽  
Vol 10 (41) ◽  
pp. 24410-24418
Author(s):  
Xi Xu ◽  
Hong Jiang
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Cluster Expansion ◽  
First Principles ◽  
Expansion Method ◽  
First Principles Calculations ◽  
Cluster Expansion Method

Anion order in perovskite oxynitrides is investigated by a combination of first-principles calculations, cluster expansion method and Monte Carlo simulations.

Interplay Between Electronic Transport and Magnetic Order in Ferromagnetic Manganite Thin Films

1997 ◽  
Vol 474 ◽  
Author(s):  
M. R. Hundley ◽  
J. J. Neumeier ◽  
R. H. Heffher ◽  
Q. X. Jia ◽  
X. D. Wu ◽  
...  
Keyword(s):  
Thin Films ◽  
Electronic Transport ◽  
Transition Metal Oxides ◽  
Colossal Magnetoresistance ◽  
Magnetic Order ◽  
Magnetic Ordering ◽  
Temperature Dependent ◽  
Sharp Maximum ◽  
Magnetic Ordering Temperature ◽  
Dependent Transport

ABSTRACTThe transition metal oxides La1-xAxMnO3 (A = Ba, Ca, or Sr) order ferromagnetically with Curie temperatures ranging from as low as 50 K to well above room temperature. Magnetic order in these compounds results in a concomitant metal-insulator transition. The feature displayed by the manganites that is most important technologically is the extremely large negative magnetoresistance that achieves its largest values near the magnetic ordering temperature. Qualitatively, this colossal magnetoresistance (CMR) phenomenon involves the suppression of the relatively sharp maximum in the resistivity that is centered at Tc. When considered collectively, the anomalous temperature-dependent transport properties, the CMR effect, and the magnetically ordered ground state indicate that a novel interplay between magnetism and electronic transport occurs in the manganites. General features of the magnetic-field and temperature-dependent electrical resistivity and magnetization as displayed by PLD-grown thin films are examined. Particular emphasis is placed on what these measurements tell us about the conduction process both above and below the magnetic ordering temperature.

scholarly journals Statistical mechanics of self-gravitating system: Cluster expansion method

1999 ◽  
Vol 260 (1-2) ◽  
pp. 4-9 ◽  
Author(s):  
Osamu Iguchi ◽  
Tomomi Kurokawa ◽  
Masahiro Morikawa ◽  
Akika Nakamichi ◽  
Yasuhide Sota ◽  
...  
Keyword(s):  
Statistical Mechanics ◽  
Cluster Expansion ◽  
Expansion Method ◽  
Cluster Expansion Method
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