The carbon clathrate hex-C16

被引：2

作者：

Benedek, G ^{[1
]}

Bernasconi, M ^{[1
]}

Gambirasio, A ^{[1
]}

机构：

[1] Univ Milan, Ist Nazl Fis Mat, Dipartimento Sci Mat, I-20125 Milan, Italy

来源：

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2003年 / 237卷 / 01期

关键词：

D O I：

10.1002/pssb.200301764

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Diamond-like clathrates ideally obtained from the coalescence of carbon cages form a wide class of hypothetical carbon crystals which can be designed from topological arguments. The structural and electronic properties of a novel hexagonal carbon clathrate with a full four-fold coordination and only 16 atoms per unit cell are obtained from first-principle density-functional calculations and compared to those of other diamond-like crystalline forms.

引用

页码：296 / 300

页数：5

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