Effects of hydrogen on electronic properties of doped diamond

被引：17

作者：

Dai, Y ^{[1
]}

Yan, CX

Li, AY

Zhang, Y

Han, SH

机构：

[1] Shandong Univ, State Key Lab Crystal Mat, Sch Phys & Microelect, Jinan 250100, Peoples R China

[2] Chinese Acad Sci, Inst Phys, Beijing 100864, Peoples R China

来源：

CARBON | 2005年 / 43卷 / 05期

基金：

中国国家自然科学基金;

关键词：

diamond; electronic properties;

D O I：

10.1016/j.carbon.2004.11.035

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：

We have investigated the effects of hydrogen on the electronic structure of diamond doped boron and sulfur using cluster model method within the frame of ab initio density functional theory (DFT). The results show that the presence of hydrogen results in a deep donor level with no change of conductivity type in sulfur-doped diamond samples and the formation of the multiple hydrogen-boron complexes may cause a conductivity type transition in the hydrogen-rich boron-doped diamond samples. (c) 2004 Elsevier Ltd. All rights reserved.

引用

页码：1009 / 1014

页数：6

共 24 条

[1] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].

BECKE, AD .

PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100

[2] HYDROGEN IN DIAMOND [J].

BRIDDON, P ;

JONES, R ;

LISTER, GMS .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1988, 21 (30) :L1027-L1031

[3] Hydrogen-boron interactions in p-type diamond [J].

Chevallier, J ;

Theys, B ;

Lusson, A ;

Grattepain, C ;

Deneuville, A ;

Gheeraert, E .

PHYSICAL REVIEW B, 1998, 58 (12) :7966-7969

[4] Evidence of hydrogen-boron interactions in diamond from deuterium diffusion and infrared spectroscopy experiments [J].

Chevallier, J ;

Lusson, A ;

Theys, B ;

Deneuville, A ;

Gheeraert, E .

[5] Theory of hydrogen in diamond -: art. no. 115207 [J].

Goss, JP ;

Jones, R ;

Heggie, MI ;

Ewels, CP ;

Briddon, PR ;

Öberg, S .

PHYSICAL REVIEW B, 2002, 65 (11) :1-13

[6] NITROGEN AND POTENTIAL NORMAL-TYPE DOPANTS IN DIAMOND [J].

KAJIHARA, SA ;

ANTONELLI, A ;

BERNHOLC, J ;

CAR, R .

PHYSICAL REVIEW LETTERS, 1991, 66 (15) :2010-2013

[7] Is sulfur a donor in diamond? [J].

Kalish, R ;

Reznik, A ;

Uzan-Saguy, C ;

Cytermann, C .

APPLIED PHYSICS LETTERS, 2000, 76 (06) :757-759

[8] AB-INITIO MOLECULAR-DYNAMICS SIMULATION OF THE LIQUID-METAL AMORPHOUS-SEMICONDUCTOR TRANSITION IN GERMANIUM [J].

KRESSE, G ;

HAFNER, J .

PHYSICAL REVIEW B, 1994, 49 (20) :14251-14269

[9] Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J].

Kresse, G ;

Furthmuller, J .

PHYSICAL REVIEW B, 1996, 54 (16) :11169-11186

[10] ABINITIO MOLECULAR-DYNAMICS FOR LIQUID-METALS [J].

KRESSE, G ;

HAFNER, J .

PHYSICAL REVIEW B, 1993, 47 (01) :558-561

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