Thermal conductivity of diamond nanowires from first principles

被引：322

作者：

Li, Wu ^{[1
]}

Mingo, Natalio ^{[1
]}

Lindsay, L. ^{[2
]}

Broido, D. A. ^{[3
]}

Stewart, D. A. ^{[4
]}

Katcho, N. A. ^{[1
]}

机构：

[1] CEA Grenoble, F-38000 Grenoble, France

[2] USN, Res Lab, Washington, DC 20375 USA

[3] Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA

[4] Cornell Univ, Cornell Nanoscale Facil, Ithaca, NY 14853 USA

来源：

PHYSICAL REVIEW B | 2012年 / 85卷 / 19期

基金：

美国国家科学基金会;

关键词：

BOUNDARY SCATTERING REGIME; CHEMICAL-VAPOR-DEPOSITION; SILICON NANOWIRES; CARBON NANOTUBES; SIMULATION; NANORODS; GE;

D O I：

10.1103/PhysRevB.85.195436

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Using ab initio calculations we have investigated the thermal conductivity (kappa) of diamond nanowires, unveiling unusual features unique to this system. In sharp contrast with Si, kappa( T) of diamond nanowires as thick as 400 nm still increase monotonically with temperature up to 300 K, and room-temperature size effects are stronger than for Si. A marked dependence of kappa on the crystallographic orientation is predicted, which is apparent even at room temperature. [001] growth direction always possesses the largest. in diamond nanowires. The predicted features point to a potential use of diamond nanowires for the precise control of thermal flow in nanoscale devices.

引用

页数：5

共 39 条

[1] PSEUDOPOTENTIALS THAT WORK - FROM H TO PU [J].