Surface Reaction Mechanism on GaN MOVPE Growth

XIN Xiao-long; ZUO Ran; TONG Yu-zhen; ZHANG Guo-yi

doi:10.3788/fgxb20153607.0744

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Surface Reaction Mechanism on GaN MOVPE Growth

更新时间：2020-08-12

- Surface Reaction Mechanism on GaN MOVPE Growth
- Chinese Journal of Luminescence Vol. 36, Issue 7, Pages: 744-750(2015)
- 作者机构：
  
  1. 江苏大学能源与动力工程学院,江苏镇江,212013
  2. 北京大学物理学院宽禁带半导体研究中心北京,100871
  3. 东莞中镓半导体科技有限公司,广东东莞,523500
- 作者简介：
- 基金信息：
- DOI：10.3788/fgxb20153607.0744
  CLC： TN304
- Received：31 March 2015，
  
  Revised：10 May 2015，
  
  Published：03 July 2015
- 稿件说明：
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辛晓龙, 左然, 童玉珍等. MOVPE生长GaN的表面反应机理[J]. 发光学报, 2015,36(7): 744-750

XIN Xiao-long, ZUO Ran, TONG Yu-zhen etc. Surface Reaction Mechanism on GaN MOVPE Growth[J]. Chinese Journal of Luminescence, 2015,36(7): 744-750
辛晓龙, 左然, 童玉珍等. MOVPE生长GaN的表面反应机理[J]. 发光学报, 2015,36(7): 744-750 DOI： 10.3788/fgxb20153607.0744.

XIN Xiao-long, ZUO Ran, TONG Yu-zhen etc. Surface Reaction Mechanism on GaN MOVPE Growth[J]. Chinese Journal of Luminescence, 2015,36(7): 744-750 DOI： 10.3788/fgxb20153607.0744.

摘要

利用量子化学的DFT理论

对MOVPE生长GaN薄膜的表面初始反应机理进行研究。通过计算GaCH

和NH

在GaN(0001)-Ga面的4种吸附位的能量曲线发现

GaCH

在各吸附位的吸附能差值不大

因此容易在表面迁移;而NH

在各吸附位的吸附能差值较大

最稳定吸附位为Top位

迁移到其他位置需要克服较大能垒。在此基础上

提出了以NH

和 GaCH

为表面生长基元

在GaN(0001)-Ga面连续生长

最终形成环状核心的二维生长机理:在环状核心形成过程中

第1个GaN核生长需要3个NH

和1个GaCH

可表示为Ga(NH

)

。第2个GaN核生长可利用已有的1个N作为配位原子

故只需2个NH

和1个GaCH

。2个GaN核可表示为(NH

)

Ga-NH-Ga(NH

)

。第3个GaN核生长可利用已有的2个N作为配位原子

故只需要1个NH

和1个GaCH

。3个GaN核构成环状核心

可表示为Ga

(NH)

(NH

)

。后续的生长将重复第2个核和第3个核的生长过程

从而实现GaN薄膜的连续台阶生长。

Abstract

Surface initial growth process of GaN film in MOVPE is studied by DFT theory of quantum chemistry. By calculating the adsorption energies of GaCH

and NH

at main adsorption sites of GaN (0001)-Ga surface

it is found that energies of GaCH

at four adsorption sites are similar

thus GaCH

is easy to diffuse on the surface. The energies of NH

at four adsorption sites are much different. The most stable adsorption site for NH

is Top

and the large energy barrier exist for NH

migrating from Top to other sites. Based on the energy analysis

the initial GaN surface growth mechanism is proposed for GaN (0001)-Ga surface

with NH

and GaCH

as growth precursor and ring structured core as final form. In the process of the ring structured core growth

the first GaN core growth need three NH

and one GaCH

which can be expressed as Ga(NH

)

. The second GaN core growth can use one existing N as coordination atom

so only two NH

and one GaCH

are needed. The two GaN core can be expressed as (NH

)

Ga-NH-Ga (NH

)

. The third GaN core growth can use two existing N as coordination atoms

so only one NH

and one GaCH

are needed. The third GaN core forms a ring structure which can be expressed as Ga

(NH)

(NH

)

. The subsequent growth will repeat the process of the second and third core growth

so as to realize the continuous steps of GaN film growth.

关键词

Keywords

references

Deutschmann O. Modeling and Simulation of Heterogeneous Catalytic Reactions: From The Molecular Process to The Technical System [M]. New York: John Wiley & Sons, 2013.

Suzuki H, Togashi R, Murakami H, et al. Ab initio calculation for an initial growth process of GaN on (0001) and (0001) surfaces by vapor phase epitaxy [J]. Phys. Stat. Sol.(c), 2009, 6(s2):S301-S304.

Nakamura K, Hayashi T, Tachibana A, et al. Regional density functional theory for crystal growth in GaN [J]. J. Cryst. Growth, 2000, 221(1):765-771

Zywietz T, Neugebauer J, Scheffler M. Adatom diffusion at GaN (0001)and (0001)surfaces [J]. Appl. Phys. Lett., 1998, 73(4):487-489.

Won Y S, Lee J, Kim C S, et al. Computational study of adsorption, diffusion, and dissociation of precursor species on the GaN (0001) surface during GaN MOCVD [J]. Surf. Sci., 2009, 603(4):L31-L34.

Doi K, Maida N, Kimura K, et al. First-principle study on crystal growth of Ga and N layers on GaN substrate [J]. Phys. Stat. Sol.(c), 2007, 4(7):2293-2296.

Moscatelli D, Cavallotti C. Theoretical investigation of the Gas-phase kinetics active during the GaN MOVPE [J]. J. Phys. Chem. A, 2007, 111(21):4620-4631.

Neugebauer J, Zywietz T, Scheffler M, et al. Theory of surfaces and interfaces of group Ⅲ-nitrides [J]. Appl. Surf. Sci., 2000, 159:355-359.

Neugebauer J. Surfactants and antisurfactants on group-Ⅲ-nitride surfaces [J]. Phys. Stat. Sol.(c), 2003, 6:1651-1667

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