Structural features of Ge1Sb4Te7, an intermetallic compound in the GeTe-Sb2Te3 homologous series

被引：18

作者：

Matsunaga, Toshiyuki

Kojima, Rie ^{[1
,2
,6
]}

Yamada, Noboru ^{[1
,2
,6
]}

Kifune, Kouichi ^{[4
]}

Kubota, Yoshiki ^{[3
]}

Takata, Masaki ^{[5
,6
]}

机构：

[1] Matsushita Elect Ind Co Ltd, Mat Sci & Anal Technol Ctr, Osaka 5708501, Japan

[2] Matsushita Elect Ind Co Ltd, AV Core Technol Dev Ctr, Osaka 5708501, Japan

[3] Osaka Prefecture Univ, Grad Sch Sci, Osaka 5998531, Japan

[4] Osaka Prefecture Univ, Fac Liberal Arts & Sci, Osaka 5998531, Japan

[5] SPring 8 RIKEN, Mikazuki, Hyogo 6795148, Japan

[6] JST, CREST, Kawaguchi, Saitama 3320012, Japan

来源：

CHEMISTRY OF MATERIALS | 2008年 / 20卷 / 18期

关键词：

D O I：

10.1021/cm703484k

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The structural and bonding, nature of Ge1Sb4Te7 is investigated using an X-ray diffraction method and calculations based on density-functional theory (DFT). This material's crystal is confirmed to have a 12-layered, close-packed cubic stacking structure (P (3) over bar ml). In this crystal, Te atoms occupy their own specific layers; however, it has been revealed that Ge and Sb atoms are not located in their respective layers but cause partial atomic disordering across other layers. The structure consists of two kinds of NaCl slabs stacked alternately, and the calculations demonstrate that adjacent slabs are connected by a van der Waals-type weak force and that Ge1Sb4Te7 forms a compound semiconductor with a very narrow band gap.

引用

页码：5750 / 5755

页数：6

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