Dynamics Modeling of Charged Defects in Si under B Ion Implantation

doi:10.19596/j.cnki.1001-246x.8245

Abstract

Abstract:

To describe accurately the dynamic physical process and obtain quantitatively boron (B) spatial distribution as well as it's evolution behaviors in silicon (Si) under boron implantation, we built a multiscale dynamic model of charged defects. In the model, multiple microscopic processes of defects generation and evolution are comprehensively considered under B ion implantation, including charge states of defects and reactions among charged defects, evolution of B-interstitial clusters (BICs) and interactions between charged defects and carriers. The simulated B distribution is consistent with experiments. It shows that BICs dominate the depth distribution of B concentration and interstitial B (B_I) makes B distribution extend into depth. Besides, considering charge states of defects, we correct diffusion coefficients of Si interstitials (I) and B_I so that the behavior of B distribution can be described accurately. The model reveals real physical processes and micro-mechanisms in Si under B implantation, which demonstrates that BICs and real charge states of defects are the key in describing B distribution. It provides theoretical guidance for semiconductor device fabrication.

Key words: silicon, boron implantation, charged defects, dynamics modeling

CLC Number:

O469

Pengdi LI, Jun LIU, Qirong ZHENG, Chuanguo ZHANG, Yonggang LI, Yongsheng ZHANG, Gaofeng ZHAO, Zhi ZENG. Dynamics Modeling of Charged Defects in Si under B Ion Implantation[J]. Chinese Journal of Computational Physics, 2021, 38(3): 361-370.

Figures/Tables 10

References 35

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反应事件(不含团簇)	反应事件(含团簇)
	${{\text{I}}^{j}}+{{\text{I}}^{k}}\rightleftharpoons {{\text{I}}_{\text{2}}}+\left( {{\text{z}}_{j}}+{{\text{z}}_{k}} \right){{\text{e}}^{-}}$
	${{\text{V}}^{j}}+{{\text{V}}^{k}}\rightleftharpoons {{\text{V}}_{\text{2}}}+\left( {{\text{z}}_{j}}+{{\text{z}}_{k}} \right){{\text{e}}^{-}}$
${{\text{X}}^{j}}+{{\text{e}}^{-}}\rightleftharpoons {{\text{X}}^{j-1}}$	${{\text{I}}^{k}}+\text{B}_{\text{I}}^{j}\rightleftharpoons \text{B}{{\text{I}}_{\text{2}}}+\left( {{\text{z}}_{j}}+{{\text{z}}_{k}} \right){{\text{e}}^{-}}$
${{\text{X}}^{j}}+{{\text{h}}^{+}}\rightleftharpoons {{\text{X}}^{j+1}}$	$\text{B}_{\text{I}}^{j}+\text{B}_{\text{S}}^{k}\rightleftharpoons {{\text{B}}_{\text{2}}}\text{I}+\left( {{\text{z}}_{j}}+{{\text{z}}_{k}} \right){{\text{e}}^{-}}$
${{\rm{I}}^j} + {{\rm{V}}^k} \to 0 + \left( {{{\rm{z}}_j} + {{\rm{z}}_k}} \right){\rm{e}} - $	$\text{B}_{\text{I}}^{j}+\text{B}_{\text{I}}^{k}\rightleftharpoons {{\text{B}}_{\text{2}}}{{\text{I}}_{\text{2}}}+\left( {{\text{z}}_{j}}+{{\text{z}}_{k}} \right){{\text{e}}^{-}}$
$\text{B}_{\text{I}}^{j}+{{\text{V}}^{k}}\rightleftharpoons \text{B}_{\text{S}}^{j+k}$	${{\rm{I}}_2} + {{\rm{V}}^j} \to {{\rm{I}}^j}{\rm{ + }}{{\rm{z}}_j}{{\rm{e}}^ - }$
$\text{B}_{\text{S}}^{j}+{{\text{I}}^{k}}\rightleftharpoons \text{B}_{\text{I}}^{j+k}$	${{\rm{V}}_2} + {{\rm{I}}^j} \to {{\rm{V}}^j}{\rm{ + }}{{\rm{z}}_j}{{\rm{e}}^ - }$
${\rm{X}} = {\rm{I}}, {\rm{V}}, {{\rm{B}}_{\rm{I}}}, {{\rm{B}}_{\rm{S}}}$	${{\rm{V}}_2} + {\rm{B}}_{\rm{I}}^j \to {{\rm{V}}^k} + {\rm{B}}_{\rm{S}}^l$
	${{\text{B}}_{2}}+{{\text{I}}^{j}}\rightleftharpoons \text{B}{{\text{I}}_{2}}+{{\text{z}}_{j}}{{\text{e}}^{-}}$
	${{\text{B}}_{2}}\text{I}+{{\text{I}}^{j}}\rightleftharpoons {{\text{B}}_{\text{2}}}{{\text{I}}_{2}}+{{\text{z}}_{j}}{{\text{e}}^{-}}$

反应事件(不含团簇)	反应事件(含团簇)
	${{\text{I}}^{j}}+{{\text{I}}^{k}}\rightleftharpoons {{\text{I}}_{\text{2}}}+\left( {{\text{z}}_{j}}+{{\text{z}}_{k}} \right){{\text{e}}^{-}}$
	${{\text{V}}^{j}}+{{\text{V}}^{k}}\rightleftharpoons {{\text{V}}_{\text{2}}}+\left( {{\text{z}}_{j}}+{{\text{z}}_{k}} \right){{\text{e}}^{-}}$
${{\text{X}}^{j}}+{{\text{e}}^{-}}\rightleftharpoons {{\text{X}}^{j-1}}$	${{\text{I}}^{k}}+\text{B}_{\text{I}}^{j}\rightleftharpoons \text{B}{{\text{I}}_{\text{2}}}+\left( {{\text{z}}_{j}}+{{\text{z}}_{k}} \right){{\text{e}}^{-}}$
${{\text{X}}^{j}}+{{\text{h}}^{+}}\rightleftharpoons {{\text{X}}^{j+1}}$	$\text{B}_{\text{I}}^{j}+\text{B}_{\text{S}}^{k}\rightleftharpoons {{\text{B}}_{\text{2}}}\text{I}+\left( {{\text{z}}_{j}}+{{\text{z}}_{k}} \right){{\text{e}}^{-}}$
${{\rm{I}}^j} + {{\rm{V}}^k} \to 0 + \left( {{{\rm{z}}_j} + {{\rm{z}}_k}} \right){\rm{e}} - $	$\text{B}_{\text{I}}^{j}+\text{B}_{\text{I}}^{k}\rightleftharpoons {{\text{B}}_{\text{2}}}{{\text{I}}_{\text{2}}}+\left( {{\text{z}}_{j}}+{{\text{z}}_{k}} \right){{\text{e}}^{-}}$
$\text{B}_{\text{I}}^{j}+{{\text{V}}^{k}}\rightleftharpoons \text{B}_{\text{S}}^{j+k}$	${{\rm{I}}_2} + {{\rm{V}}^j} \to {{\rm{I}}^j}{\rm{ + }}{{\rm{z}}_j}{{\rm{e}}^ - }$
$\text{B}_{\text{S}}^{j}+{{\text{I}}^{k}}\rightleftharpoons \text{B}_{\text{I}}^{j+k}$	${{\rm{V}}_2} + {{\rm{I}}^j} \to {{\rm{V}}^j}{\rm{ + }}{{\rm{z}}_j}{{\rm{e}}^ - }$
${\rm{X}} = {\rm{I}}, {\rm{V}}, {{\rm{B}}_{\rm{I}}}, {{\rm{B}}_{\rm{S}}}$	${{\rm{V}}_2} + {\rm{B}}_{\rm{I}}^j \to {{\rm{V}}^k} + {\rm{B}}_{\rm{S}}^l$
	${{\text{B}}_{2}}+{{\text{I}}^{j}}\rightleftharpoons \text{B}{{\text{I}}_{2}}+{{\text{z}}_{j}}{{\text{e}}^{-}}$
	${{\text{B}}_{2}}\text{I}+{{\text{I}}^{j}}\rightleftharpoons {{\text{B}}_{\text{2}}}{{\text{I}}_{2}}+{{\text{z}}_{j}}{{\text{e}}^{-}}$

缺陷类型	E_f/eV	D⁰/(cm²·s^-1)	E_m/eV	ΔE^e/eV	ΔE^h/eV	σ^e/cm²	σ^h/cm²	θ
I^2－	5.37	10^-3	0.33	0.11			3×10^-14
I^－	4.61	10^-3	0.54	0.26	1.01	3×10^-16	3×10^-14
I⁰	4.06	10^-3	0.40	0.62	0.86	3×10^-15	3×10^-15
I⁺	3.73	10^-3	0.37	0.47	0.50	3×10^-14	3×10^-16
I²⁺	3.68	10^-3	1.10		0.65	3×10^-14
V^2－	4.33	1.5×10^-2	0.10	0.09			3×10^-14
V^－	3.87	1.3×10^-3	0.19	0.40	1.03	3×10^-16	3×10^-14
V⁰	3.69	1.3×10^-3	0.36	1.07	0.72	3×10^-15	3×10^-15
V⁺	4.07	9.6×10^-3	0.44	0.99	0.05	3×10^-14	3×10^-16
V²⁺	4.55	9.6×10^-3	0.71		0.13	3×10^-14
B_S^－	0			1.075			3×10^-14	1
B_S⁰	0				0.045	1×10^-20		4
B_I^－	0.72	1.2×10^-3	0.32	0.37			3×10^-14
B_I⁰	0.63	1.2×10^-3	0.40	0.13	0.75	3×10^-15	3×10^-15
B_I⁺	1.13	1.2×10^-3	0.95		0.99	3×10^-14
I₂	6.52
V₂	5.57
BI₂	5.4
B₂	0.9
BI₂	2.2
B₂I₂	4.4

缺陷类型	E_f/eV	D⁰/(cm²·s^-1)	E_m/eV	ΔE^e/eV	ΔE^h/eV	σ^e/cm²	σ^h/cm²	θ
I^2－	5.37	10^-3	0.33	0.11			3×10^-14
I^－	4.61	10^-3	0.54	0.26	1.01	3×10^-16	3×10^-14
I⁰	4.06	10^-3	0.40	0.62	0.86	3×10^-15	3×10^-15
I⁺	3.73	10^-3	0.37	0.47	0.50	3×10^-14	3×10^-16
I²⁺	3.68	10^-3	1.10		0.65	3×10^-14
V^2－	4.33	1.5×10^-2	0.10	0.09			3×10^-14
V^－	3.87	1.3×10^-3	0.19	0.40	1.03	3×10^-16	3×10^-14
V⁰	3.69	1.3×10^-3	0.36	1.07	0.72	3×10^-15	3×10^-15
V⁺	4.07	9.6×10^-3	0.44	0.99	0.05	3×10^-14	3×10^-16
V²⁺	4.55	9.6×10^-3	0.71		0.13	3×10^-14
B_S^－	0			1.075			3×10^-14	1
B_S⁰	0				0.045	1×10^-20		4
B_I^－	0.72	1.2×10^-3	0.32	0.37			3×10^-14
B_I⁰	0.63	1.2×10^-3	0.40	0.13	0.75	3×10^-15	3×10^-15
B_I⁺	1.13	1.2×10^-3	0.95		0.99	3×10^-14
I₂	6.52
V₂	5.57
BI₂	5.4
B₂	0.9
BI₂	2.2
B₂I₂	4.4

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