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Magnetic structure and phonon spectra of iron-based superconductors: A first-principle study

โœ Scribed by Hiroki Nakamura; Masahiko Machida; Alfred Q.R. Baron; Tatsuo Fukuda; Shin-ichi Shamoto


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
483 KB
Volume
470
Category
Article
ISSN
0921-4534

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Electronic structures of Mg 1-x Cr x O (x = 0, 0.25, 0.5, 0.75) were investigated based on first-principles calculations using generalized gradient approximation (GGA) and GGA + U. Different magnetic and electronic properties are predicted from the calculated spin-dependent density of states near th