Electronic band structures of filled tetrahedral semiconductor LiMgP and zinc-blende AlP
文献类型：期刊论文
| 作者 | L. H. Yu ; K. L. Yao ; Z. L. Liu |
| 刊名 | Solid State Communications
 |
| 出版日期 | 2005 |
| 卷号 | 135期号:1-2页码:124-128 |
| 关键词 | semi conductors electronic band structure FP-LAPW method gap liznas growth |
| ISSN号 | 0038-1098 |
| 中文摘要 | The band structures of the filled tetrahedral semiconductor LiMgP and zinc-blende AIP were studied using the full potential linearized augmented plane wave method (FP-LAPW). The conduction band modifications of LiMgP, compared to its 'parent' zinc-blende analog AIP, are discussed. It was found that the conduction band valleys of LiMgP follow the X-T-L ordering of increasing energy for both alpha (Li+ near the anion) and beta(Li+ near the cation) phases, whereas AIP has the X-L-F ordering, and the differences between the direct (Gamma-Gamma) and indirect (Gamma-X) gaps decrease in the alpha and beta-LiMgP, compared to AIR The interstitial insertion of closed-shell Li+ ion is a possible method to change the direct-indirect gap nature, but the 'interstitial insertion rule' cannot be applied in predicting all conduction band modifications of LiMgP, relative to AIR The total energy calculations show the a phase to be more stable than the 0 phase for LiMgP. (c) 2005 Elsevier Ltd. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35186]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | L. H. Yu,K. L. Yao,Z. L. Liu. Electronic band structures of filled tetrahedral semiconductor LiMgP and zinc-blende AlP[J]. Solid State Communications,2005,135(1-2):124-128. |
| APA | L. H. Yu,K. L. Yao,&Z. L. Liu.(2005).Electronic band structures of filled tetrahedral semiconductor LiMgP and zinc-blende AlP.Solid State Communications,135(1-2),124-128. |
| MLA | L. H. Yu,et al."Electronic band structures of filled tetrahedral semiconductor LiMgP and zinc-blende AlP".Solid State Communications 135.1-2(2005):124-128. |
入库方式： OAI收割
来源：金属研究所
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