CN108154004A - 基于过渡层对外延薄膜与衬底结合力评价的过渡层材料选择方法 - Google Patents
基于过渡层对外延薄膜与衬底结合力评价的过渡层材料选择方法 Download PDFInfo
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- VYPSYNLAJGMNEJ-UHFFFAOYSA-N Silicium dioxide Chemical compound O=[Si]=O VYPSYNLAJGMNEJ-UHFFFAOYSA-N 0.000 description 129
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- 229910052681 coesite Inorganic materials 0.000 description 27
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- 229910052682 stishovite Inorganic materials 0.000 description 27
- 229910052905 tridymite Inorganic materials 0.000 description 27
- ATJFFYVFTNAWJD-UHFFFAOYSA-N Tin Chemical compound [Sn] ATJFFYVFTNAWJD-UHFFFAOYSA-N 0.000 description 21
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- CSCPPACGZOOCGX-UHFFFAOYSA-N Acetone Chemical compound CC(C)=O CSCPPACGZOOCGX-UHFFFAOYSA-N 0.000 description 2
- 229910014299 N-Si Inorganic materials 0.000 description 2
- 229910008332 Si-Ti Inorganic materials 0.000 description 2
- 229910006749 Si—Ti Inorganic materials 0.000 description 2
- 229910004339 Ti-Si Inorganic materials 0.000 description 2
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- 238000004833 X-ray photoelectron spectroscopy Methods 0.000 description 2
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- 238000002474 experimental method Methods 0.000 description 2
- 229910052751 metal Inorganic materials 0.000 description 2
- RVTZCBVAJQQJTK-UHFFFAOYSA-N oxygen(2-);zirconium(4+) Chemical compound [O-2].[O-2].[Zr+4] RVTZCBVAJQQJTK-UHFFFAOYSA-N 0.000 description 2
- 238000002186 photoelectron spectrum Methods 0.000 description 2
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- 238000004321 preservation Methods 0.000 description 2
- 229910052727 yttrium Inorganic materials 0.000 description 2
- VWQVUPCCIRVNHF-UHFFFAOYSA-N yttrium atom Chemical compound [Y] VWQVUPCCIRVNHF-UHFFFAOYSA-N 0.000 description 2
- 229910001928 zirconium oxide Inorganic materials 0.000 description 2
- 241000208140 Acer Species 0.000 description 1
- VHUUQVKOLVNVRT-UHFFFAOYSA-N Ammonium hydroxide Chemical compound [NH4+].[OH-] VHUUQVKOLVNVRT-UHFFFAOYSA-N 0.000 description 1
- 238000003775 Density Functional Theory Methods 0.000 description 1
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- 229910010037 TiAlN Inorganic materials 0.000 description 1
- 229910008479 TiSi2 Inorganic materials 0.000 description 1
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- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
- G16C20/20—Identification of molecular entities, parts thereof or of chemical compositions
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- C—CHEMISTRY; METALLURGY
- C30—CRYSTAL GROWTH
- C30B—SINGLE-CRYSTAL GROWTH; UNIDIRECTIONAL SOLIDIFICATION OF EUTECTIC MATERIAL OR UNIDIRECTIONAL DEMIXING OF EUTECTOID MATERIAL; REFINING BY ZONE-MELTING OF MATERIAL; PRODUCTION OF A HOMOGENEOUS POLYCRYSTALLINE MATERIAL WITH DEFINED STRUCTURE; SINGLE CRYSTALS OR HOMOGENEOUS POLYCRYSTALLINE MATERIAL WITH DEFINED STRUCTURE; AFTER-TREATMENT OF SINGLE CRYSTALS OR A HOMOGENEOUS POLYCRYSTALLINE MATERIAL WITH DEFINED STRUCTURE; APPARATUS THEREFOR
- C30B25/00—Single-crystal growth by chemical reaction of reactive gases, e.g. chemical vapour-deposition growth
- C30B25/02—Epitaxial-layer growth
- C30B25/16—Controlling or regulating
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- C—CHEMISTRY; METALLURGY
- C30—CRYSTAL GROWTH
- C30B—SINGLE-CRYSTAL GROWTH; UNIDIRECTIONAL SOLIDIFICATION OF EUTECTIC MATERIAL OR UNIDIRECTIONAL DEMIXING OF EUTECTOID MATERIAL; REFINING BY ZONE-MELTING OF MATERIAL; PRODUCTION OF A HOMOGENEOUS POLYCRYSTALLINE MATERIAL WITH DEFINED STRUCTURE; SINGLE CRYSTALS OR HOMOGENEOUS POLYCRYSTALLINE MATERIAL WITH DEFINED STRUCTURE; AFTER-TREATMENT OF SINGLE CRYSTALS OR A HOMOGENEOUS POLYCRYSTALLINE MATERIAL WITH DEFINED STRUCTURE; APPARATUS THEREFOR
- C30B25/00—Single-crystal growth by chemical reaction of reactive gases, e.g. chemical vapour-deposition growth
- C30B25/02—Epitaxial-layer growth
- C30B25/18—Epitaxial-layer growth characterised by the substrate
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- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C10/00—Computational theoretical chemistry, i.e. ICT specially adapted for theoretical aspects of quantum chemistry, molecular mechanics, molecular dynamics or the like
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- Chemical Kinetics & Catalysis (AREA)
- General Chemical & Material Sciences (AREA)
- Materials Engineering (AREA)
- Metallurgy (AREA)
- Organic Chemistry (AREA)
- Health & Medical Sciences (AREA)
- General Health & Medical Sciences (AREA)
- Analysing Materials By The Use Of Radiation (AREA)
Abstract
Description
元素 | 界面处原子电荷量 | 远界面原子电荷量 | 电子转移方向 |
Ti | 0.34 | 1.21 | 大幅度↓ |
N | -0.68 | -0.65 | 小幅度↓(绝对值↑) |
Si | 1.06 | 2.40 | 大幅度↓ |
元素 | 界面处原子电荷量 | 远界面原子电荷量 | 电子转移方向 |
O | -1.12 | -1.23 | ↑(绝对值↓) |
Mg | 1.54 | 1.21 | ↑ |
N | -0.83 | -0.74 | ↓(绝对值↑) |
Ti | 0.43 | 0.80 | ↓ |
Claims (6)
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Cited By (5)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
CN110824137A (zh) * | 2019-10-10 | 2020-02-21 | 中国建筑材料科学研究总院有限公司 | 低辐射玻璃中银膜在衬底上结晶有序性的预测方法及装置 |
CN111415711A (zh) * | 2019-01-04 | 2020-07-14 | 上海汽车集团股份有限公司 | 一种导电耐腐蚀镀层材料确定方法及装置 |
CN113255139A (zh) * | 2021-05-31 | 2021-08-13 | 国网山东省电力公司电力科学研究院 | 多孔磷烯薄膜对sf6/n2分解产物分离的计算方法及*** |
CN113471093A (zh) * | 2021-06-08 | 2021-10-01 | 广东省大湾区集成电路与***应用研究院 | 一种用于半导体器件的薄膜形貌预测方法及装置 |
CN114749744A (zh) * | 2022-05-12 | 2022-07-15 | 华北水利水电大学 | 一种预测无磁钢连接界面氮化物的方法 |
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王杨: "异质生长金刚石衬底用 TiN/MgO 叠层制备及性能研究", 《中国优秀硕士学位论文全文数据库 基础科学辑》 * |
Cited By (7)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
CN111415711A (zh) * | 2019-01-04 | 2020-07-14 | 上海汽车集团股份有限公司 | 一种导电耐腐蚀镀层材料确定方法及装置 |
CN110824137A (zh) * | 2019-10-10 | 2020-02-21 | 中国建筑材料科学研究总院有限公司 | 低辐射玻璃中银膜在衬底上结晶有序性的预测方法及装置 |
CN110824137B (zh) * | 2019-10-10 | 2022-03-11 | 中国建筑材料科学研究总院有限公司 | 低辐射玻璃中银膜在衬底上结晶有序性的预测方法及装置 |
CN113255139A (zh) * | 2021-05-31 | 2021-08-13 | 国网山东省电力公司电力科学研究院 | 多孔磷烯薄膜对sf6/n2分解产物分离的计算方法及*** |
CN113471093A (zh) * | 2021-06-08 | 2021-10-01 | 广东省大湾区集成电路与***应用研究院 | 一种用于半导体器件的薄膜形貌预测方法及装置 |
CN113471093B (zh) * | 2021-06-08 | 2024-06-04 | 广东省大湾区集成电路与***应用研究院 | 一种用于半导体器件的薄膜形貌预测方法及装置 |
CN114749744A (zh) * | 2022-05-12 | 2022-07-15 | 华北水利水电大学 | 一种预测无磁钢连接界面氮化物的方法 |
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