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First-Principles Study of Spontaneous Polarization in SbFeO 3

✍ Scribed by Biao Zhang, Guang; Xu Wang, Yuan; Zhu Ren, Feng; Li Yan, Yu


Book ID
120060479
Publisher
Institute of Pure and Applied Physics
Year
2012
Tongue
English
Weight
966 KB
Volume
81
Category
Article
ISSN
0031-9015

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πŸ“œ SIMILAR VOLUMES


First-principles study of spontaneous po
✍ Shoji Ishibashi; Kiyoyuki Terakura πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 381 KB

We have performed first-principles calculations on the organic compound tetrathiafulvalene-pchloranil (TTF-CA: TTF ΒΌ C 6 H 4 S 4 , CA ΒΌ C 6 Cl 4 O 2 ) in order to evaluate its spontaneous polarization. The obtained value on the experimental structure is 0:10 C=m 2 while it is 0:12 C=m 2 on the struc