Thermodynamics of the production of condensed phases in the chemical vapor deposition process of zirconium diboride with ZrCl 4-BCl 3-H 2 precursors

Juanli Deng; Laifei Cheng; Zhiliang Hong; Kehe Su; Litong Zhang

doi:10.1016/j.tsf.2011.10.004

Thermodynamics of the production of condensed phases in the chemical vapor deposition process of zirconium diboride with ZrCl ₄-BCl ₃-H ₂ precursors

Juanli Deng
, Laifei Cheng
, Zhiliang Hong
, Kehe Su
, Litong Zhang

School of Materials Sience and Engineering

Research output: Contribution to journal › Article › peer-review

16 Scopus citations

Abstract

Production conditions of ZrB ₂, Zr and B condensed phases in the chemical vapor deposition process of ZrCl ₄-BCl ₃-H ₂ precursors have been investigated in details based on the thermodynamic analyses using the FactSage code and 41 species being involved from its embedded database. The production of the condensed phases has been examined as a function of the injected reactant ratios of ZrCl ₄/(ZrCl ₄ + BCl ₃) and H ₂/(ZrCl ₄ + BCl ₃), temperature and pressure. The results show that the condensed phase composition is quite sensitive to the reactant ratios and to the temperature whereas it is insensitive to the pressure. The ideal conditions for the deposition of ZrB ₂ are as follows: temperature ranging from 1050 to 1550 K, ratios of ZrCl ₄/BCl ₃ of 1/2 and of H ₂/(ZrCl ₄ + BCl ₃) in the range of 10-10 ¹⁰, and pressures lower than 10.1 kPa. The production of zirconium form in the region of H ₂/(ZrCl ₄ + BCl ₃) from 10 ³ to 10 ¹⁴ with ZrCl ₄/BCl ₃ ratio higher than 1/2 and free boron appears in the ratios of H ₂/(ZrCl ₄ + BCl ₃) from 10 ^{- 2} to 10 ⁵ with ZrCl ₄/BCl ₃ ratio lower than 1/2. The deposition of single-phase ZrB ₂ and the co-deposition of ZrB ₂ with Zr or ZrB ₂ with B would be easily controlled by changing the ratios of ZrCl ₄/BCl ₃ and H ₂/(ZrCl ₄ + BCl ₃). In addition, the concentration distribution of precursors and gaseous species in the system was investigated. The results in this work are consistent with the available experimental and theoretical ones, and will be helpful for further experimental investigation of different deposition conditions with respect to the ratio of the injected reactants, pressure and temperature.

Original language	English
Pages (from-to)	2331-2335
Number of pages	5
Journal	Thin Solid Films
Volume	520
Issue number	6
DOIs	https://doi.org/10.1016/j.tsf.2011.10.004
State	Published - 1 Jan 2012

Keywords

Chemical vapor deposition (CVD)
Production of condensed phase
Thermodynamics
Zirconium diboride

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10.1016/j.tsf.2011.10.004

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@article{192a29c037054925aa0f630196acc769,

title = "Thermodynamics of the production of condensed phases in the chemical vapor deposition process of zirconium diboride with ZrCl 4-BCl 3-H 2 precursors",

abstract = "Production conditions of ZrB 2, Zr and B condensed phases in the chemical vapor deposition process of ZrCl 4-BCl 3-H 2 precursors have been investigated in details based on the thermodynamic analyses using the FactSage code and 41 species being involved from its embedded database. The production of the condensed phases has been examined as a function of the injected reactant ratios of ZrCl 4/(ZrCl 4 + BCl 3) and H 2/(ZrCl 4 + BCl 3), temperature and pressure. The results show that the condensed phase composition is quite sensitive to the reactant ratios and to the temperature whereas it is insensitive to the pressure. The ideal conditions for the deposition of ZrB 2 are as follows: temperature ranging from 1050 to 1550 K, ratios of ZrCl 4/BCl 3 of 1/2 and of H 2/(ZrCl 4 + BCl 3) in the range of 10-10 10, and pressures lower than 10.1 kPa. The production of zirconium form in the region of H 2/(ZrCl 4 + BCl 3) from 10 3 to 10 14 with ZrCl 4/BCl 3 ratio higher than 1/2 and free boron appears in the ratios of H 2/(ZrCl 4 + BCl 3) from 10 - 2 to 10 5 with ZrCl 4/BCl 3 ratio lower than 1/2. The deposition of single-phase ZrB 2 and the co-deposition of ZrB 2 with Zr or ZrB 2 with B would be easily controlled by changing the ratios of ZrCl 4/BCl 3 and H 2/(ZrCl 4 + BCl 3). In addition, the concentration distribution of precursors and gaseous species in the system was investigated. The results in this work are consistent with the available experimental and theoretical ones, and will be helpful for further experimental investigation of different deposition conditions with respect to the ratio of the injected reactants, pressure and temperature.",

keywords = "Chemical vapor deposition (CVD), Production of condensed phase, Thermodynamics, Zirconium diboride",

author = "Juanli Deng and Laifei Cheng and Zhiliang Hong and Kehe Su and Litong Zhang",

year = "2012",

month = jan,

day = "1",

doi = "10.1016/j.tsf.2011.10.004",

language = "英语",

volume = "520",

pages = "2331--2335",

journal = "Thin Solid Films",

issn = "0040-6090",

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number = "6",

}

TY - JOUR

T1 - Thermodynamics of the production of condensed phases in the chemical vapor deposition process of zirconium diboride with ZrCl 4-BCl 3-H 2 precursors

AU - Deng, Juanli

AU - Cheng, Laifei

AU - Hong, Zhiliang

AU - Su, Kehe

AU - Zhang, Litong

PY - 2012/1/1

Y1 - 2012/1/1

N2 - Production conditions of ZrB 2, Zr and B condensed phases in the chemical vapor deposition process of ZrCl 4-BCl 3-H 2 precursors have been investigated in details based on the thermodynamic analyses using the FactSage code and 41 species being involved from its embedded database. The production of the condensed phases has been examined as a function of the injected reactant ratios of ZrCl 4/(ZrCl 4 + BCl 3) and H 2/(ZrCl 4 + BCl 3), temperature and pressure. The results show that the condensed phase composition is quite sensitive to the reactant ratios and to the temperature whereas it is insensitive to the pressure. The ideal conditions for the deposition of ZrB 2 are as follows: temperature ranging from 1050 to 1550 K, ratios of ZrCl 4/BCl 3 of 1/2 and of H 2/(ZrCl 4 + BCl 3) in the range of 10-10 10, and pressures lower than 10.1 kPa. The production of zirconium form in the region of H 2/(ZrCl 4 + BCl 3) from 10 3 to 10 14 with ZrCl 4/BCl 3 ratio higher than 1/2 and free boron appears in the ratios of H 2/(ZrCl 4 + BCl 3) from 10 - 2 to 10 5 with ZrCl 4/BCl 3 ratio lower than 1/2. The deposition of single-phase ZrB 2 and the co-deposition of ZrB 2 with Zr or ZrB 2 with B would be easily controlled by changing the ratios of ZrCl 4/BCl 3 and H 2/(ZrCl 4 + BCl 3). In addition, the concentration distribution of precursors and gaseous species in the system was investigated. The results in this work are consistent with the available experimental and theoretical ones, and will be helpful for further experimental investigation of different deposition conditions with respect to the ratio of the injected reactants, pressure and temperature.

AB - Production conditions of ZrB 2, Zr and B condensed phases in the chemical vapor deposition process of ZrCl 4-BCl 3-H 2 precursors have been investigated in details based on the thermodynamic analyses using the FactSage code and 41 species being involved from its embedded database. The production of the condensed phases has been examined as a function of the injected reactant ratios of ZrCl 4/(ZrCl 4 + BCl 3) and H 2/(ZrCl 4 + BCl 3), temperature and pressure. The results show that the condensed phase composition is quite sensitive to the reactant ratios and to the temperature whereas it is insensitive to the pressure. The ideal conditions for the deposition of ZrB 2 are as follows: temperature ranging from 1050 to 1550 K, ratios of ZrCl 4/BCl 3 of 1/2 and of H 2/(ZrCl 4 + BCl 3) in the range of 10-10 10, and pressures lower than 10.1 kPa. The production of zirconium form in the region of H 2/(ZrCl 4 + BCl 3) from 10 3 to 10 14 with ZrCl 4/BCl 3 ratio higher than 1/2 and free boron appears in the ratios of H 2/(ZrCl 4 + BCl 3) from 10 - 2 to 10 5 with ZrCl 4/BCl 3 ratio lower than 1/2. The deposition of single-phase ZrB 2 and the co-deposition of ZrB 2 with Zr or ZrB 2 with B would be easily controlled by changing the ratios of ZrCl 4/BCl 3 and H 2/(ZrCl 4 + BCl 3). In addition, the concentration distribution of precursors and gaseous species in the system was investigated. The results in this work are consistent with the available experimental and theoretical ones, and will be helpful for further experimental investigation of different deposition conditions with respect to the ratio of the injected reactants, pressure and temperature.

KW - Chemical vapor deposition (CVD)

KW - Production of condensed phase

KW - Thermodynamics

KW - Zirconium diboride

UR - https://www.scopus.com/pages/publications/84855925922

U2 - 10.1016/j.tsf.2011.10.004

DO - 10.1016/j.tsf.2011.10.004

M3 - 文章

AN - SCOPUS:84855925922

SN - 0040-6090

VL - 520

SP - 2331

EP - 2335

JO - Thin Solid Films

JF - Thin Solid Films

IS - 6

ER -

Thermodynamics of the production of condensed phases in the chemical vapor deposition process of zirconium diboride with ZrCl ₄-BCl ₃-H ₂ precursors

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Keywords

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