Large-scale electronic structure calculations of vacancies in 4H-SiC using the Heyd-Scuseria-Ernzerhof screened hybrid density functional

被引：94

作者：

Hornos, Tamas ^{[1
]}

Gali, Adam ^{[2
]}

Svensson, Bengt G. ^{[1
]}

机构：

[1] Univ Oslo, Dept Phys, Sem Saelandsvei 24, N-0316 Oslo, Norway

[2] Res Inst Solid State Phys & Opt, H-1525 Budapest, Hungary

来源：

SILICON CARBIDE AND RELATED MATERIALS 2010 | 2011年 / 679-680卷

关键词：

sic; carbon vacancy; silicon vacancy; ab-initio calculation; hybrid functional; DEEP-LEVEL DEFECTS;

D O I：

10.4028/www.scientific.net/MSF.679-680.261

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Large-scale and gap error free calculations of the electronic structure of vacancies in 4H-SiC have been carried out using a hybrid density functional (HSE06) and an accurate charge correction scheme. Based on the results the carbon vacancy is proposed to be responsible for the Z(1/2) and EH6/7 DLTS centers.

引用

页码：261 / +

页数：2

共 17 条

[1] Annealing behavior between room temperature and 2000°C of deep level defects in electron-irradiated n-type 4H silicon carbide -: art. no. 043518 [J].

Alfieri, G ;

Monakhov, EV ;

Svensson, BG ;

Linnarsson, MK .

JOURNAL OF APPLIED PHYSICS, 2005, 98 (04)

[2] Many-Body Effects in the Excitation Spectrum of a Defect in SiC [J].

Bockstedte, Michel ;

Marini, Andrea ;

Pankratov, Oleg ;

Rubio, Angel .

PHYSICAL REVIEW LETTERS, 2010, 105 (02)

[3] Investigation of deep levels in n-type 4H-SiC epilayers irradiated with low-energy electrons [J].

Danno, Katsunori ;

Kimoto, Tsunenobu .

JOURNAL OF APPLIED PHYSICS, 2006, 100 (11)

[4] Electrically active defects in irradiated 4H-SiC [J].

David, ML ;

Alfieri, G ;

Monakhov, EM ;

Hallén, A ;

Blanchard, C ;

Svensson, BG ;

Barbot, JF .

JOURNAL OF APPLIED PHYSICS, 2004, 95 (09) :4728-4733

[5] Accurate defect levels obtained from the HSE06 range-separated hybrid functional [J].

Deak, Peter ;

Aradi, Balint ;

Frauenheim, Thomas ;

Janzen, Erik ;

Gali, Adam .

PHYSICAL REVIEW B, 2010, 81 (15)

[6] Z1/Z2 defects in 4H-SiC -: art. no. 225502 [J].

Eberlein, TAG ;

Jones, R ;

Briddon, PR .

PHYSICAL REVIEW LETTERS, 2003, 90 (22)

[7] Electrical characterization of metastable carbon clusters in SiC:: A theoretical study -: art. no. 033204 [J].

Gali, A ;

Son, NT ;

Janzén, E .

PHYSICAL REVIEW B, 2006, 73 (03)

[8] Deep level defects in electron-irradiated 4H SiC epitaxial layers [J].

Hemmingsson, C ;

Son, NT ;

Kordina, O ;

Bergman, JP ;

Janzen, E ;

Lindstrom, JL ;

Savage, S ;

Nordell, N .

JOURNAL OF APPLIED PHYSICS, 1997, 81 (09) :6155-6159

[9] Negative-U centers in 4H silicon carbide [J].

Hemmingsson, CG ;

Son, NT ;

Ellison, A ;

Zhang, J ;

Janzen, E .

PHYSICAL REVIEW B, 1998, 58 (16) :10119-10122

[10] Elimination of the Major Deep Levels in n- and p-Type 4H-SiC by Two-Step Thermal Treatment [J].

Hiyoshi, Toru ;

Kimoto, Tsunenobu .

APPLIED PHYSICS EXPRESS, 2009, 2 (09)

← 1 2 →