๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Structural, electronic, phonon and thermodynamic properties of hypothetical type-VIII clathrates Ba8Si46 and Ba8Al16Si30 investigated by first principles

โœ Scribed by Norouzzadeh, Payam; Myles, Charles W.; Vashaee, Daryoosh

Book ID
121365068
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
453 KB
Volume
587
Category
Article
ISSN
0925-8388

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Electronic structure and physical proper
Electronic structure and physical properties of Ba8Ga16Sn30 clathrates with type-I and type-VIII structure
โœ Yang Li; J. Gao; N. Chen; Y. Liu; Z.P. Luo; R.H. Zhang; X.Q. Ma; G.H. Cao ๐Ÿ“‚ Article ๐Ÿ“… 2008 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 163 KB

A joint experimental and theoretical investigation is performed for Ba-Sn-Ga type-I and type-VIII clathrates. The type-I sample shows a semiconductor characteristic which is accords with the first principle simulation. The type-I clathrate follows Zintl-like behaviour and the semiconducting gap is a

Synthesis and first-principles calculati
Synthesis and first-principles calculations of the structural and electronic properties of type-I clathrates Sr8Ga16SnxGe30 โˆ’ x
โœ D. C. Li; L. Fang; S. K. Deng; K. Y. Kang; W. H. Wei; H. B. Ruan ๐Ÿ“‚ Article ๐Ÿ“… 2012 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 744 KB

## Abstract In the present work we report on the synthesis of typeโ€I clathrates Sr~8~Ga~16~Sn~__x__~Ge~30โ€‰โˆ’โ€‰__x__~ (0โ€‰โ‰คโ€‰__x__โ€‰โ‰คโ€‰12). To find out how the substitution of Sn for Ge affects structural stability and electronic structure, the structural and electronic properties for Sr~8~Ga~16~Sn~__x__~