INTERACTION OF MANGANESE ATOMS WITH GROUP VI IMPURITIES IN THE SILICON LATTICE

SCIENCE AND INNOVATION INTERNATIONAL SCIENTIFIC JOURNAL VOLUME 4 ISSUE 10 OCTOBER 2025 ISSN: 2181-3337 | SCIENTISTS.UZ 4 INTERACTION OF MANGANESE ATOMS WITH GROUP VI IMPURITIES IN THE SILICON LATTICE Kh.M. Iliev1, M.O. Tursunov2, A.I. Eshqorayev3 Tashkent State Technical University, University St., 2., 100095, Tashkent, Uzbekistan1 Termez State University, Barkamol avlod St., 43., 190111, Termez, Uzbekistan2,3 https://doi.org/10.5281/zenodo.17388516 Abstract. The nature of the chemical bond in them is ionic-covalent, in addition, the binding energy of electrons in it is different. With an increase in the concentration of such elementary cells, their various combinations can form, up to the formation of nanocomplexes of a new phase, which will have their own fundamental parameters [1-2]. It has been shown that a sufficiently large concentration of such unit cells can lead to a significant change in the electrical parameters of silicon and to the possibility of obtaining a new silicon-based material. Keywords: silicon, interaction, manganese, Gibbs energy, complex. 1. INTRODUCTION Controlling the state of impurity atoms in the silicon lattice is of great scientific and practical interest. Since this state of impurity atoms in the lattice can not only significantly change the electrical and recombination parameters of the base material, but also form various impurity clusters, leading to changes in the fundamental parameters of the material. It follows from known previously results on investigation of impurity interaction of Mn with the VI group elements that for the each elements pair is character the temperature definite value on which we deal with the most intensive complexation [3]. Figure 1. The temperature dependence of complexation on the Gibbs energy. 1.5 2.0 2.5 3.0 3.5 4.0 600 700 800 900 1000 1100 1200 1300 MnTe MnSe MnS G, eV Т, 0С MnO SCIENCE AND INNOVATION INTERNATIONAL SCIENTIFIC JOURNAL VOLUME 4 ISSUE 10 OCTOBER 2025 ISSN: 2181-3337 | SCIENTISTS.UZ 5 Table 1. The values of the most intensive complexation temperature and Gibbs energy for corresponding compounds. In Table 1. the values of the most intensive complexation temperature for the corresponding compounds are presented. After analyzing data presented in this table we can conclude that there is presence the definite correlation between the most effective complexation temperature, Teff, and Gibbs thermodynamic energy, 0 298 G , for corresponding chemical compounds (see, Figure 1) [4]. k TTTT effMnTeeffMnSeeffMnSeffMnO         MnTeG MnSeG MnSG MnOG 0 298 0 298 0 298 0 298 (1) There the constancy of parameter k=-(2÷3) 10-1 kJ/mol·K as the complexation coefficient can be identified. The aim of the present paper is to show affecting of VI group elements interaction with Mn to the Si electrical parameters. 2. MATERIALS AND METHODS As the initial material we used the p-type Si monocrystal with specific resistance ρ=3 Ω∗ cm (NB=7·1015 sm-3) concentrated with oxygen NО2=7·1017 cm-3. The samples as the parallelepiped with sizes 8×4×0,4 mm-3 are cut out, after that with M-14 micro powders in conditions provide obtaining the thickness and flatness of samples with ±10 micrometer precision are polished. Etching of the samples damaged layer in HF:HNO3 (1:3) solution is carried out. For the diffuse we used the horizontal SUOL-0,4 type tube furnace. The diffuse annealing temperature one measured with Platinum–Platinum-rhodium. The diffuse of all impurities from the gas phase (the air residual pressure in the quart’s ampoules was less than 10-4 mm·Hg·Art) is carried out. For investigations we prepared the p-type samples party with ρ=3 Ω∙cm leggiered with B. The diffuse for O, S, Se and Te elements on temperature 1250˚C during 10 hours is carried out [5-7]. After leggier we cut profiles with specific resistivity and charge carriers mobility distribution for all Si (B, S), Si (B, Se), Si (B, Te) samples on ones depth by room temperature and calculated the impurities concentration, which in Table 2 are presented. Table 2. The electric parameters of samples leggier on 1250 ˚C during 10 hours. Samples Conductivity type 𝝆, Ω·cm µ, cm2/ V·s n, cm-3 Si (В,О) p 5,9 221 4,8·1015 Si (В,S) n 5,8 920 1,2·1015 Si (В,Se) n 1,7 1385 2,6·1015 Si (В,Te) n 5,6·10-2 686 1,6·1017 Here the values for parameters ρ and μ (calculated by van-der Pau method) and p-n transition depth of (x)-samples Si (B, O), Si (B, S), Si (B, Se), Si (B, Te) are given. The analysis Binary complexes Teff,˚С 0 298 G kJ/mol K, kJ·˚С/mol MnO 1300 -363.3 -0,279 MnS 1100 -220 -0,2 MnSe 820 -163 -0,2 MnTe 650 -128 -0,2 SCIENCE AND INNOVATION INTERNATIONAL SCIENTIFIC JOURNAL VOLUME 4 ISSUE 10 OCTOBER 2025 ISSN: 2181-3337 | SCIENTISTS.UZ 6 of distribution of NS, NSe and NTe profile curve showed that it with erfc-function having surface concentrations NS=5·1016 sm-3, NSe=1·1017 cm-3, NTe=5·1017 cm-3 and diffuse coefficients DS=5·10-8 cm2/c, DSe=7·10-9 cm2/c, DТе=6·10-12 cm2/c can be described. Using the known data [8] we can present the representations for diffuse coefficients: for S [9], c cm kT DS 2 2.2 exp92.0        (2) for Se [10], c cm kT DSe 2 6.2 exp3.0        (3) for Te [11], c cm kT DTe 2 34.3 exp5.0        . (4) Their calculated ourselves values are in good agreement with the experimental data with accuracy less than ±20 %. Here for calculation of the oxygen concentration in Si we used the dependence proposed in Ref. [12]: c cm kT DO 2 52.2 exp13.0        (5) The Mn diffuse from the gas phase to corresponding samples with VI group elements impurities we carried out during 30 minutes. Presence of interaction between impurities by comparing electro physical parameters and p-n-transition depth in samples with Mn and without one is controlled. 3. RESULTS AND DISCUSSION The diffuse of Mn to Si (B, O) samples by T=1300 ˚С is carried out. The electro physical parameters of Si (B, Mn), Si (B, O), Si (B, Mn, O) samples in Table 3 has been presented. Change, that is decrease of charge carriers concentration after leggier with Mn equals to 0,11% which differs essentially from the concentration value of Mn electro active atoms by diffuse temperature. Thus, the concentration of B with Mn does not happening. In line 1 of Table 3 we can see also the compensation case between Si <B, Mn> sample. There charge carriers concentration changing with appearance after leggier of the interaction between Mn and oxygen in the Si lattice can be explained. Table 3. Electro physical parameters of Si (B, Mn), Si (B, O), Si (B, Mn, O) samples. Samples Conductivity type 𝝆, Ω·cm µ, cm2/ V·s n, cm-3 Si (B, Mn) n (1,2÷1,5)·103 1100 4,5·1012 Si (B,O) p 5,9 221 4,8·1015 Si (B, Mn, O) p 3÷5 260÷270 (8,1÷4,6)·1015 Here the Mn diffuse to Si (B, S) samples by T=1100 ˚С is carried out. The electro physical parameters of Si (B, S), Si (B, Mn), Si (B, MnS) samples are presented in Table 4. Change (decrease) of the charge carriers concentration after leggier with Mn equals to 0,4 % which differs essentially from concentration values for Mn electro active atoms on the diffuse temperature. Thus, the compensation B with Mn does not happening. The compensation case we SCIENCE AND INNOVATION INTERNATIONAL SCIENTIFIC JOURNAL VOLUME 4 ISSUE 10 OCTOBER 2025 ISSN: 2181-3337 | SCIENTISTS.UZ 7 can see in line 1 of Table with Si (B, Mn) samples parameters. Such change of charge carriers concentration after leggier can be explained with appearance of the interaction between Mn and S in the Si lattice [13-15]. To Si (B, Se) samples the Mn diffuse we carried out on T=1160 ˚С. Then Si (B, Se) samples are annealed by T=820˚С during one hour. Table 4. Electro physical parameters of Si (B, S), Si (B, Mn), Si (B, MnS) samples. Samples Conductivity type (by thermozond) 𝝆, Ω·cm µ, cm2/ V·s n, cm-3 Si (B, Mn) n 4,7·102 1000 1,3·1013 Si (B, S) n 5,75 920 1,2·1015 Si (B, MnS) p 3÷4 257 (8,1÷6)·1015 Table 5. The values of electro physical parameters of Si (B, Sе), Si (B, Mn Sе) samples after additional annealing. Samples Conductivity type (by thermozond) 𝝆, Ω·cm µ, cm2/ V·s n, cm-3 Si (B, Mn) n 88 1117 6,3·1013 Si (B, Se) n 2 1240 2,5·1015 Si (B, MnSe) p 3÷6 227 (9,2÷4,5)·1015 Here change (decrease) of charge carriers concentration after leggier equals to 1,7 %, which differs essentially from the concentration values of Mn electro active atoms on the diffuse temperature. It follows the B compensation with Mn does not happening. The compensation case for Si (B, Mn) samples parameters is seen from line 1 of the Table. Such change of charge carriers concentration after leggier can be explained with appearance of the interaction between Mn and S in the Si lattice, too. The Mn diffuse to Si (B, Te) samples is carried out on T=1160 ˚С. After that Si (B, Te) samples are annealed by T=650˚С during 1 hour. Table 6. The values of electro physical parameters of Si (B, Tе), Si (B, Mn Tе) samples after additional annealing. Samples Conductivity type (by thermozond) 𝝆, Ω·cm µ, cm2/ V·s n, cm-3 Si (B, Mn) n 4,2·10-2 102 1,4·1018 Si (B, Te) n 5,6·10-2 686 1,6·1017 Si (B, MnTe) p 3÷6 242 (8,4÷4,3)·1015 In this case change (decrease) of charge carriers concentration after leggier equals to 0,3 % which differs essentially from Mn electro active atoms concentration on the diffuse temperature. Thus, the B compensation with Mn does not happening. The compensation case for Si (B, Mn) samples parameters we can see from line 1 of the Table. This situation, that is change of charge carriers concentration after leggier can be explained with appearance of the interaction between Mn and Te in the Si lattice, too. The presence of such definite correlation between of the most effective complexation temperature and the Gibbs energy for corresponding compounds testifies clearly on the chemical nature of O, S, Se and Te with Mn. In other words, in the interaction process of VI group elements SCIENCE AND INNOVATION INTERNATIONAL SCIENTIFIC JOURNAL VOLUME 4 ISSUE 10 OCTOBER 2025 ISSN: 2181-3337 | SCIENTISTS.UZ 8 with Mn impurity in the Si lattice we deal with presence of electro neutral chemical compound complexes between the centers of substitution of VI group elements and ones Mn introducing. 4. DETERMINATION OF DISTANCES BETWEEN ATOMS IN A COMPLEX. From the analysis of experimental data and numerical calculations, we can say that the physical model of complex formation of manganese molecules with atoms of Group VI elements is generally correct [16]. From the obtained values of binding energy Ea, the distances between atoms in the complex were determined. 1) 56,1 k аMnO MnO F Е r Å (6) 2) 7,1 k аMnSe MnSe F Е r Å (7) 3) 16,2 k аMnS MnS F Е r Å (8) 4) 4,1 k аMnTe MnTe F Е r Å (9) Fig. 2. Structure of site complexes between Mn atoms and Group VI elements in the silicon lattice. The distances between atoms in the crystal lattice of an individual compound and in a complex located in the silicon lattice are shown in Table 7. Table 7. Distances between atoms in the crystal lattice of an individual compound and in a complex located in the silicon lattice. Si(MnO) Si(MnS) Si(MnSe) Si(MnTe) 2,27 Å > 1,56 Å 2,73 Å >2,16 Å 2,84 Å >1,7 Å 3,01 Å >1,4 Å From the analysis of the calculated data it is clear that the distance between atoms in the molecular complex decreases. This can be explained by the influence of surrounding atoms of the silicon crystal lattice [17-18]. The distance between Mn and group VI atoms in the silicon lattice is calculated. rMnO=1.56 Å, rMnS=2.16 Å, rMnSe=1.7 Å, rMnTe=1.4 Å CONCLUSION The definite correlation between the most effective temperature and Gibbs thermodynamic energy for corresponding individual compounds for each observed O, S, Se and Te complexes has SCIENCE AND INNOVATION INTERNATIONAL SCIENTIFIC JOURNAL VOLUME 4 ISSUE 10 OCTOBER 2025 ISSN: 2181-3337 | SCIENTISTS.UZ 9 been revealed. We showed that after leggier the electric parameters, namely specific resistivity, mobility and charge carriers concentration are changed [19-22]. In our opinion, change of charge carriers concentration after leggier can be explained with presence interaction of Mn between VI group elements in the Si lattice. It has been shown that the observed neutralization of impurities in the interaction process deals with happening electro neutral, chemical compound complexes between substituting centers of VI group elements and Mn. 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