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Can I read Analysis of the Determination of Magnetic Phase Transition Temperatures by the First-principles Calculations on EtoBox?
Analysis of the Determination of Magnetic Phase Transition Temperatures by the First-principles Calculations by Xing Gao; Yu-mei Zhou; Ding-sheng Wang is a Materials Science article available to read on EtoBox.
What is Analysis of the Determination of Magnetic Phase Transition Temperatures by the First-principles Calculations about?
Fitting to the first-principles total energy of chosen magnetic configurations, a set of effective exchange integrals was obtained, and magnetic phase transition temperature can be determined by Monte Carlo simulation as given in previous literatures. For efficient and accurate determination of the transition temperature, the present paper gives a quantitative evaluation of the importance of each configuration used in the fitting procedure, and a quantitative estimate of the errors in this determination. As an example, the Neel temperature obtained for FCC Mn with experimental lattice constant is 514765 K, bearing only an uncertainty of o13%. Well agreement with the experimental value, 490 K, shows the possibility of accurate determination of magnetic phase transition temperatures from the first-principles calculations.
Who reads Analysis of the Determination of Magnetic Phase Transition Temperatures by the First-principles Calculations?
It is typically read by researchers, students, and practitioners in Materials Science.
- Author
- Xing Gao; Yu-mei Zhou; Ding-sheng Wang
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0304-8853)
- Published
- 2002
- Language
- EN
- Field
- Materials Science (Physical Sciences)