For the heat treatment preparation and modification of pn junction devices in germanium-core fibers, this study selected the core-cladding junction region as the research focus and adopted a typical p-type germanium material with the host element aluminum as the doping element. An aluminum (Al)-doped germanium (Ge)/silicon dioxide (SiO2) interface model was established by using Materials studio software. Dynamic simulations of the heat treatment process for pn junctions in germanium-core fibers were conducted at different temperatures, specifically 500 ℃, 600 ℃, 660 ℃, 700 ℃, 727 ℃, and 827 ℃. The mean square displacement of the dopant atoms Al, diffusion coefficients, and cellular parameter changes of the Al-doped Ge/SiO2 structure were analyzed at different temperatures. It was observed that the diffusion of Al atoms in the structure decreased progressively at 500 ℃, 600 ℃, and 660 ℃, while it increased at 700 ℃, 727 ℃, and 827 ℃. This phenomenon preliminarily indicates the displacements of dopant atoms induced by the temperature increase lead to changes of atomic positions in the crystals and ultimately result in the alteration of the properties of pn junctions within germanium-core fibers. Moreover, the stress variations and stress-strain relationship of the Al-doped Ge/SiO2 structure were investigated. It was found that the internal stress in germanium-core optical fiber is manifested as tensile stress and the trend of tensile stress with temperature is consistent with the changes in structural cell parameters. Additionally, the stress-strain relationship was observed to be proportional at different temperatures. For temperatures of 500 ℃, 600 ℃, 660 ℃, 700 ℃, and 727 ℃, the elastic modulus decreases as the temperature rises; however, when the temperature reached 827 ℃, the elastic modulus increased. These findings provide important insights for optimizing the heat treatment modification of junction-type devices in semiconductor-core fibers.
ZHONG Shuangqi
,
DU Yifan
,
MA Zecheng
,
XU Sitao
,
ZHAO Ziwen
. Dynamic Simulation of Heat Treatment Process in Core-Cladding Junction Region of Aluminum-Doped Germanium-Core Optical Fibers[J]. Journal of Applied Sciences, 2026
, 44(2)
: 198
-207
.
DOI: 10.3969/j.issn.0255-8297.2026.02.002
[1] Hu L, Pasta M, La M F, et al. Stretchable, porous, and conductive energy textiles [J]. Nano Letters, 2010, 10(2): 708-714.
[2] Mcalpine M C, Ahmad H, Wang D, et al. Highly ordered nanowire arrays on plastic substrates for ultrasensitive flexible chemical sensors [J]. Nature Materials, 2007, 6(5): 379-384.
[3] Kim D H, Xiao J, Song J, et al. Stretchable, curvilinear electronics based on inorganic materials [J]. Advanced Materials, 2010, 22(19): 2108-2124.
[4] Abouraddy A F, Bayindir M, Benoit G, et al. Towards multimaterial multifunctional fibres that see, hear, sense and communicate [J]. Nature Materials, 2007, 6(5): 336-347.
[5] Zhang J, Wang Z, Wang Z, et al. In-fibre particle manipulation and device assembly via laser induced thermocapillary convection [J]. Nature Communications, 2019, 10(1): 5206.
[6] Rein M, Favrod V D, Hou C, et al. Diode fibres for fabric-based optical communications [J]. Nature, 2018, 560(7717): 214-218.
[7] Song S, Lonsethagen K, Laurell F, et al. Laser restructuring and photoluminescence of glass-clad GaSb/Si-core optical fibres [J]. Nature Communications, 2019, 10(1): 1790.
[8] Sutmann G. Classical molecular dynamics [M]//Grotendorst J, Marx D, Muramatsu A. Quantum simulations of complex many-body systems: from theory to algorithms. Jülich: John von Neumann Institute for Computing, 2002: 211-254.
[9] 闻立时. 固体材料界面研究的物理基础[M]. 北京: 科学出版社, 1991.
[10] 张金平, 张洋洋, 李慧, 等. 纳米铝热剂Al/SiO2层状结构铝热反应的分子动力学模拟[J]. 物理学报, 2014, 63(8): 342-350. Zhang J P, Zhang Y Y, Li H, et al. Molecular dynamics investigation of thermite reaction behavior of nanostructured Al/SiO2 system [J]. Acta Physica Sinica, 2014, 63(8): 342-350. (in Chinese)
[11] 任二花, 李晓延, 张虎, 等. 空位对Cu/Sn焊点中Cu3Sn层元素扩散的影响[J]. 电子元件与材料, 2022, 41(4): 381-386. Ren E H, Li X Y, Zhang H, et al. Effect of vacancy on elements diffusion in Cu3Sn layers for Cu/Sn solder joints [J]. Electronic Components and Materials, 2022, 41(4): 381-386. (in Chinese)
[12] Chroneos A, Bracht H. Diffusion of n-type dopants in germanium [J]. Applied Physics Reviews, 2014, 1(1): 011301.
[13] Chen P L, Chen I W. Grain growth in CeO2: dopant effects, defect mechanism, and solute drag [J]. Journal of the American Ceramic Society, 1996, 79: 1793-1800.
[14] 关振铎. 无机材料物理性能[M]. 北京: 清华大学出版社, 1992.
[15] Wu W P, Yao Z Z. Molecular dynamics simulation of stress distribution and microstructure evolution ahead of a growing crack in single crystal nickel [J]. Theoretical and Applied Fracture Mechanics, 2012, 62: 67-75.
[16] Born M, Huang K. Dynamical theory of crystal lattices [M]. New York: Oxford University Press, 1996.
[17] Adnan A, Sun C T, Mahfuz H. A molecular dynamics simulation study to investigate the effect of filler size on elastic properties of polymer nanocomposites [J]. Composites Science and Technology, 2007, 67(3/4): 348-356.
[18] Zhao Y Y, Nieh T G. Correlation between lattice distortion and friction stress in Ni-based equiatomic alloys [J]. Intermetallics, 2017, 86: 45-50.
[19] Vanhellemont J, Kamiyama E, Nakamura K, et al. Impacts of thermal stress and doping on intrinsic point defect properties and clustering during single crystal silicon and germanium growth from a melt [J]. Journal of Crystal Growth, 2017, 474: 96-103.
[20] Roylance D. Stress-strain curves [EB/OL]. [2024-07-09]. https://ocw.mit.edu/courses/3-11-mechanics-of-materials-fall-1999/resources/mit3_11f99_ss/.
[21] Gladden J R, Li G, Adebisi R, et al. High-temperature elastic moduli of bulk nanostructured n- and p-type silicon germanium [J]. Physical Review B, 2010, 82(4): 045209.
[22] Willis B T M, Pryor A W. Thermal vibrations in crystallography [M]. Cambridge: Cambridge University Press, 1975.
