Surface reconstructions on InN and GaN polar and nonpolar surfaces

被引：79

作者：

Segev, David ^{[1
]}

Van de Walle, Chris G. ^{[1
]}

机构：

[1] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA

来源：

SURFACE SCIENCE | 2007年 / 601卷 / 04期

基金：

美国国家科学基金会;

关键词：

density functional calculations; energetics; reconstruction; surface energy; gallium nitride; indium nitride; surface defects;

D O I：

10.1016/j.susc.2006.12.018

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 report a systematic and comprehensive computational study of surface reconstructions on GaN and InN surfaces in various orientations, including the polar c plane as well as the nonpolar a and m planes. For GaN we have identified several new metallic reconstructions under highly Ga-rich conditions on the nonpolar planes. For InN we find several distinct differences from the GaN case: the absence of a nitrogen-adatom reconstruction on the (0001) plane; the presence of a single, metallic reconstruction over the entire stability range on the (000 (1) over bar) plane; and In-adlayer reconstructions on the (1 (1) over bar 00) (m) plane. An interesting "inverted polarity" defect structure on the (1 (1) over bar 00) (m) plane is also revealed. (c) 2006 Elsevier B.V. All rights reserved.

引用

页码：L15 / L18

页数：4

共 17 条

[1] Macroscopic polarization and band offsets at nitride heterojunctions [J].

Bernardini, F ;

Fiorentini, V .

PHYSICAL REVIEW B, 1998, 57 (16) :R9427-R9430

[2] SELF-CONSISTENT CALCULATIONS OF THE ENERGY-BANDS AND BONDING PROPERTIES OF B-12(C-3) [J].

BYLANDER, DM ;

KLEINMAN, L ;

LEE, S .

PHYSICAL REVIEW B, 1990, 42 (02) :1394-1403

[3] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].

CEPERLEY, DM ;

ALDER, BJ .

PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569

[4] Excitation wavelength dependence of terahertz emission from InN and InAs [J].

Chern, Grace D. ;

Readinger, Eric D. ;

Shen, Hongen ;

Wraback, Michael ;

Gallinat, Chad S. ;

Koblmuller, Gregor ;

Speck, James S. .

APPLIED PHYSICS LETTERS, 2006, 89 (14)

[5] Gallium adsorption onto (11(2)over-bar0) gallium nitride surfaces [J].

McLaurin, M ;

Haskell, B ;

Nakamura, S ;

Speck, JS .

JOURNAL OF APPLIED PHYSICS, 2004, 96 (01) :327-334

[6]

MONKHORST HJ, 1976, PHYS REV B, V13, P5188, DOI [10.1103/PhysRevB.13.5188, 10.1103/PhysRevB.16.1746]

[7] Atomic structure and stability of AlN(0001) and (0001) surfaces [J].

Northrup, JE ;

DiFelice, R ;

Neugebauer, J .

PHYSICAL REVIEW B, 1997, 55 (20) :13878-13883

[8] Structure of GaN(0001): The laterally contracted Ga bilayer model [J].

Northrup, JE ;

Neugebauer, J ;

Feenstra, RM ;

Smith, AR .

PHYSICAL REVIEW B, 2000, 61 (15) :9932-9935

[9] Theory of GaN(10(1)over-bar-0) and (11(2)over-bar-0) surfaces [J].

Northrup, JE ;

Neugebauer, J .

PHYSICAL REVIEW B, 1996, 53 (16) :10477-10480

[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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