First-principles study for molecular beam epitaxial growth of GaN(0001)

被引：15

作者：

Ishii, A ^{[1
]}

机构：

[1] Tottori Univ, Dept Appl Math & Phys, Tottori 6808552, Japan

[2] Natl Inst Adv Ind Sci & Technol, AIST, Tsukuba, Ibaraki, Japan

来源：

APPLIED SURFACE SCIENCE | 2003年 / 216卷 / 1-4期

关键词：

molecular beam epitaxy; epitaxial growth; metal organic vapor phase epitaxy;

D O I：

10.1016/S0169-4332(03)00393-3

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：

Epitaxial growth of GaN(0 0 0 1) is possible even using molecular beam epitaxy (MBE). Under the N-rich condition, nitrogen adatom on GaN(0 0 0 1) truncated surface adsorbed at an abnormal site, H3-site which is not the original site for wurtzite structure nor zincblende structure. The nitrogen at the H3-site is very stable and inactive so that the epitaxial growth is prevented. The first-principles calculation shows us that the Ga-rich condition is very helpful to assist epitaxial growth of GaN(0 0 0 1). (C) 2003 Elsevier Science B.V. All rights reserved.

引用

页码：447 / 452

页数：6

共 9 条

[1] Study on the initial stages of heteroepitaxial growth of hexagonal GaN on sapphire by plasma assisted MBE [J].

Balakrishnan, K ;

Okumura, H ;

Yoshida, S .

JOURNAL OF CRYSTAL GROWTH, 1998, 189 :244-249

[2] First-principles calculation of the epitaxial growth of GaN(0001) [J].

Ishii, A ;

Miyake, D ;

Aisaka, T .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS, 2002, 41 (7B) :L842-L845

[3] EFFICACIOUS FORM FOR MODEL PSEUDOPOTENTIALS [J].

KLEINMAN, L ;

BYLANDER, DM .

PHYSICAL REVIEW LETTERS, 1982, 48 (20) :1425-1428

[4]

Perdew JP, 1996, PHYS REV LETT, V77, P3865, DOI 10.1103/PhysRevLett.77.3865

[5] GaN(0001) surface structures studied using scanning tunneling microscopy and first-principles total energy calculations [J].

Smith, AR ;

Feenstra, RM ;

Greve, DW ;

Shin, MS ;

Skowronski, M ;

Neugebauer, J ;

Northrup, JE .

SURFACE SCIENCE, 1999, 423 (01) :70-84

[6] EFFICIENT PSEUDOPOTENTIALS FOR PLANE-WAVE CALCULATIONS [J].

TROULLIER, N ;

MARTINS, JL .

PHYSICAL REVIEW B, 1991, 43 (03) :1993-2006

[7] SOFT SELF-CONSISTENT PSEUDOPOTENTIALS IN A GENERALIZED EIGENVALUE FORMALISM [J].

VANDERBILT, D .

PHYSICAL REVIEW B, 1990, 41 (11) :7892-7895

[8] Structures of GaN(0001)-(2x2), -(4x4), and -(5x5) surface reconstructions [J].

Xue, QK ;

Xue, QZ ;

Bakhtizin, RZ ;

Hasegawa, Y ;

Tsong, IST ;

Sakurai, T ;

Ohno, T .

PHYSICAL REVIEW LETTERS, 1999, 82 (15) :3074-3077

[9] Adatom diffusion at GaN (0001) and (000(1)over-bar) surfaces [J].

Zywietz, T ;

Neugebauer, J ;

Scheffler, M .

APPLIED PHYSICS LETTERS, 1998, 73 (04) :487-489

← 1 →