Atomic structure and energy of threading screw dislocations in wurtzite GaN

被引：11

作者：

Belabbas, I ^{[1
]}

Belkhir, MA ^{[1
]}

Lee, YH ^{[1
]}

Béré, A ^{[1
]}

Ruterana, P ^{[1
]}

Chen, J ^{[1
]}

Nouet, G ^{[1
]}

机构：

[1] Univ A Mira de Bejaia, Lab Phys Theor, Grp Phys Solide, Bejaia, Algeria

来源：

PHYSICA STATUS SOLIDI C - CONFERENCES AND CRITICAL REVIEWS, VOL 2, NO 7 | 2005年 / 2卷 / 07期

关键词：

D O I：

10.1002/pssc.200461368

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Atomic structure and energy of the screw dislocation b=< 000c > in the full core configuration has been investigated with a self-consistent density functional tight binding calculation. A 288-atom cluster was used and the dangling bonds saturated with pseudo-hydrogen. The line energy is comparable to the values obtained using a supercell.

引用

页码：2492 / 2495

页数：4

共 18 条

[1] Atomic structure of dislocation cores in GaN -: art. no. 205323 [J].

Béré, A ;

Serra, A .

PHYSICAL REVIEW B, 2002, 65 (20) :1-10

[2] Theory of threading edge and screw dislocations in GaN [J].

Elsner, J ;

Jones, R ;

Sitch, PK ;

Porezag, VD ;

Elstner, M ;

Frauenheim, T ;

Heggie, MI ;

Oberg, S ;

Briddon, PR .

PHYSICAL REVIEW LETTERS, 1997, 79 (19) :3672-3675

[3] Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties [J].

Elstner, M ;

Porezag, D ;

Jungnickel, G ;

Elsner, J ;

Haugk, M ;

Frauenheim, T ;

Suhai, S ;

Seifert, G .

PHYSICAL REVIEW B, 1998, 58 (11) :7260-7268

[4] Influence of dislocations on electron energy-loss spectra in gallium nitride [J].

Fall, CJ ;

Jones, R ;

Briddon, PR ;

Blumenau, AT ;

Frauenheim, T ;

Heggie, MI .

PHYSICAL REVIEW B, 2002, 65 (24) :2453041-2453048

[5]

Frauenheim T, 2000, PHYS STATUS SOLIDI B, V217, P41, DOI 10.1002/(SICI)1521-3951(200001)217:1<41::AID-PSSB41>3.0.CO

[6]

2-V

[7] InGaN-based multi-quantum-well-structure laser diodes [J].

Nakamura, S ;

Senoh, M ;

Nagahama, S ;

Iwasa, N ;

Yamada, T ;

Matsushita, T ;

Kiyoku, H ;

Sugimoto, Y .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS, 1996, 35 (1B) :L74-L76

[8] Growth defects in GaN films on sapphire: The probable origin of threading dislocations [J].

Ning, XJ ;

Chien, FR ;

Pirouz, P ;

Yang, JW ;

Khan, MA .

JOURNAL OF MATERIALS RESEARCH, 1996, 11 (03) :580-592

[9]

Northrup JE, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.045204

[10] Inversion domain and stacking mismatch boundaries in GaN [J].

Northrup, JE ;

Neugebauer, J ;

Romano, LT .

PHYSICAL REVIEW LETTERS, 1996, 77 (01) :103-106

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