Absolute surface energies of oxygen-adsorbed GaN surfaces

被引：13

作者：

Kawamura, Takahiro ^{[1
,2
]}

Akiyama, Toru ^{[1
]}

Kitamoto, Akira ^{[2
]}

Imanishi, Masayuki ^{[2
]}

Yoshimura, Masashi ^{[2
]}

Mori, Yusuke ^{[2
]}

Morikawa, Yoshitada ^{[2
]}

Kangawa, Yoshihiro ^{[3
]}

Kakimoto, Koichi ^{[3
]}

机构：

[1] Mie Univ, Grad Sch Engn, 1577 Kurimamachiya Cho, Tsu, Mie 5148507, Japan

[2] Osaka Univ, Grad Sch Engn, 2-1 Yamadaoka, Suita, Osaka 5650871, Japan

[3] Kyushu Univ, Res Inst Appl Mech, Kasuga, Fukuoka 8168580, Japan

来源：

JOURNAL OF CRYSTAL GROWTH | 2020年 / 549卷

关键词：

First-principles calculation; Surface structure; Oxide vapor phase epitaxy; Nitrides; Semiconducting III-V materials; IMPURITY INCORPORATION; GA2O VAPOR; GROWTH; FILMS; DEPENDENCE; ADSORPTION; GAAS;

D O I：

10.1016/j.jcrysgro.2020.125868

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

Absolute surface energies of reconstructed polar, nonpolar, and semi-polar GaN surfaces formed under oxide vapor phase epitaxy (OVPE) growth conditions were investigated via first-principles calculations. The relationships of stable surface orientations and surface structures with the growth conditions of Ga pressure and temperature were examined in terms of absolute surface energies. The stability of the surface orientation was in the order (000 (1) over bar), (1 (1) over bar 01), (1 (1) over bar0 0), (11 (2) over bar0), (0001), and (1 (1) over bar0 (1) over bar). High O concentrations on OVPE-grown GaN could be explained in relation to the stability of the (1 (1) over bar 01) surface. The stable (1 (1) over bar 01) surface consisted of N vacancies and H and O adatoms. Therefore, it was deduced that its appearance results in increased O impurity incorporation.

引用

页数：7

共 32 条

[1] Ab initio study for adsorption and desorption behavior at step edges of GaN (0001) surface [J].

Akiyama, Toru ;

Ohka, Takumi ;

Nakamura, Kohji ;

Ito, Tomonori .

JOURNAL OF CRYSTAL GROWTH, 2020, 532

[2] Modified approach for calculating individual energies of polar and semipolar surfaces of group-III nitrides [J].

Akiyama, Toru ;

Seta, Yuki ;

Nakamura, Kohji ;

Ito, Tomonori .

PHYSICAL REVIEW MATERIALS, 2019, 3 (02)

[3] Stability of hydrogen on nonpolar and semipolar nitride surfaces: Role of surface orientation [J].

Akiyama, Toru ;

Yamashita, Tomoki ;

Nakamura, Kohji ;

Ito, Tomonori .

JOURNAL OF CRYSTAL GROWTH, 2011, 318 (01) :79-83

[4] Challenges and future perspectives in HVPE-GaN growth on ammonothermal GaN seeds [J].

Bockowski, M. ;

Iwinska, M. ;

Amilusik, M. ;

Fijalkowski, M. ;

Lucznik, B. ;

Sochacki, T. .

SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2016, 31 (09)

[5] Effect of H2 carrier gas on the physical properties of a GaN layer grown using Ga2O vapor and NH3 [J].

Bu, Yuan ;

Imade, Mamoru ;

Kitamoto, Akira ;

Yoshimura, Masashi ;

Isemura, Masashi ;

Mori, Yusuke .

JOURNAL OF CRYSTAL GROWTH, 2014, 392 :1-4

[6] Growth of GaN films with low oxygen concentration using Ga2O vapor and NH3 [J].

Bu, Yuan ;

Imade, Mamoru ;

Kishimoto, Hiroki ;

Yoshimura, Masashi ;

Sasaki, Takatomo ;

Kitaoka, Yasuo ;

Isemura, Masashi ;

Mori, Yusuke .

JOURNAL OF CRYSTAL GROWTH, 2011, 327 (01) :89-93

[7] Crystallographic orientation dependence of dopant and impurity incorporation in GaN films grown by metalorganic chemical vapor deposition [J].

Cruz, Samantha C. ;

Keller, Stacia ;

Mates, Thomas E. ;

Mishra, Umesh K. ;

DenBaars, Steven P. .

JOURNAL OF CRYSTAL GROWTH, 2009, 311 (15) :3817-3823

[8] Absolute surface energies of polar and nonpolar planes of GaN [J].

Dreyer, C. E. ;

Janotti, A. ;

Van de Walle, C. G. .

PHYSICAL REVIEW B, 2014, 89 (08)

[9] Impurity incorporation in heteroepitaxial N-face and Ga-face GaN films grown by metalorganic chemical vapor deposition [J].

Fichtenbaum, N. A. ;

Mates, T. E. ;

Keller, S. ;

DenBaars, S. P. ;

Mishra, U. K. .

JOURNAL OF CRYSTAL GROWTH, 2008, 310 (06) :1124-1131

[10] Vapor-phase epitaxial growth of GaN films using Ga2O vapor and NH3 [J].

Imade, Mamoru ;

Bu, Yuan ;

Sumi, Tomoaki ;

Kitamoto, Akira ;

Yoshimura, Masashi ;

Sasaki, Takatomo ;

Imsemura, Masashi ;

Mori, Yusuke .

JOURNAL OF CRYSTAL GROWTH, 2012, 350 (01) :56-59

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