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Miscibility Gaps Analysis for BN–Si–C Ternary Material System BN-Si-C 三元材料体系的混溶性差距分析
IF 0.5 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-09 DOI: 10.1134/S1068337224700117
L. S. Yeranyan, A. V. Margaryan, K. M. Gambaryan

Cubic boron nitride (c-BN) is an ultrawide band gap, superhard material with significant potential for applications under extreme temperatures and pressures. Nevertheless, two major challenges hinder its practical utilization in technology: (i) the difficulty in producing high-quality c-BN films, and (ii) the challenge of effectively n- and p-doping its matrix. This theoretical study focuses on investigating the solubility limits of silicon (Si) and carbon (C) in the c-BN and wurtzite BN (WZ–BN) on the basis of the strictly regular solution approximation. These elements are key candidates as n-type dopants in BN, addressing a critical concern in the realization of c-BN based electronics. The calculated Gibbs free energies of binary mixtures within the temperature range of 800–3000 K indicate that the presence of unstable regions, and consequently, miscibility gaps, are a prevalent characteristic of this system. The analysis reveals that the immiscibility gap is influenced not only by temperature, but also by the crystallographic structure. The calculated results of Si solubility limit in BN–Si binary system are in a good agreement with the latest experimental results. The findings presented here are applicable to the fabrication of multicomponent bulk crystals, epitaxial thin films, and nanostructures based on BN–Si–C solid solutions.

摘要立方氮化硼(c-BN)是一种超宽带隙超硬材料,在极端温度和压力下具有巨大的应用潜力。然而,两大挑战阻碍了它在技术上的实际应用:(i) 难以生产出高质量的立方氮化硼薄膜;(ii) 难以有效地对其基体进行 n 掺杂和 p 掺杂。本理论研究的重点是在严格正则溶液近似的基础上,研究硅(Si)和碳(C)在c-BN和沃特兹BN(WZ-BN)中的溶解度极限。这些元素是 BN 中 n 型掺杂剂的关键候选元素,解决了实现基于 c-BN 的电子器件的关键问题。计算得出的二元混合物在 800-3000 K 温度范围内的吉布斯自由能表明,不稳定区域的存在以及由此产生的混溶隙是该体系的一个普遍特征。分析表明,不相溶间隙不仅受温度影响,还受晶体结构影响。BN-Si 二元体系中硅溶解度极限的计算结果与最新的实验结果非常吻合。本文的研究结果适用于基于 BN-Si-C 固溶体的多组分块状晶体、外延薄膜和纳米结构的制造。
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引用次数: 0
Novel Prediction Using TB-mBJ of Electronic Properties, Magnetic Exchange Couplings, and Half-Metallicity in CrCaSe Materials 利用 TB-mBJ 对 CrCaSe 材料的电子特性、磁交换耦合和半金属性进行新颖预测
IF 0.5 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-09 DOI: 10.1134/S1068337224700063
H. R. Sahraoui, B. Doumi, A. Mokaddem, D. Bensaid, M. Boutaleb, A. Tadjer, A. Yakoubi, A. Sayede

In this study, we have performed investigations on the structural stability, electronic band structures, magnetic exchange couplings, and half-metallic performance of CrxCa1– xSe materials using computational methods of density functional theory via GGA-WC, GGA-PBE and, TB-mBJ exchange-correlation potentials. The CrxCa1–xSe compounds are thermodynamically stable and synthesizable owing to their negative formation energies. The structural parameters of CrxCa1–xSe with GGA-WC and GGA-PBE approximations appear to be in excellent concordance compared to the experimental data and recent theoretical calculations. According to GGA-PBE and TB-mBJ calculations, the CrxCa1–xSe compounds revealed integral magnetic moments and a half-metallic behavior with better half-metallic gaps, and spin-polarization of 100%. The CrxCa1–xSe alloys appear to be better materials for use in spintronic devices.

摘要 在这项研究中,我们利用密度泛函理论的计算方法,通过 GGA-WC、GGA-PBE 和 TB-mBJ 交换相关势,对 CrxCa1- xSe 材料的结构稳定性、电子能带结构、磁交换耦合和半金属性能进行了研究。由于 CrxCa1-xSe 的负形成能,它们在热力学上是稳定和可合成的。用 GGA-WC 和 GGA-PBE 近似计算得出的 CrxCa1-xSe 结构参数与实验数据和最近的理论计算结果非常吻合。根据 GGA-PBE 和 TB-mBJ 计算,CrxCa1-xSe 化合物显示出积分磁矩和半金属行为,具有较好的半金属间隙和 100% 的自旋极化。CrxCa1-xSe 合金似乎是用于自旋电子器件的更好材料。
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引用次数: 0
Experimental Optimization, Design Synthesis, and Up-Conversion Luminescence Properties of Y4GeO8: Er3+/Yb3+ Red Phosphors Y4GeO8: Er3+/Yb3+ 红色荧光粉的实验优化、设计合成和上转换发光特性
IF 0.5 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-09 DOI: 10.1134/S1068337224700087
S. Y. Liu, D. Gao, L. Wang, W. B. Song, H. Yin, S. T. Wang, Y. Zhu

The Er3+/Yb3+ co-doped Y4GeO8 crystal powders were successfully synthesized using a high-temperature solid-phase method. The crystal structure of the obtained phosphors was confirmed to be pure Y4GeO8 through X-ray diffraction (XRD) analysis. A regression equation correlating Er3+/Yb3+ doping concentrations with luminescent intensity was established based on the optimized theoretical model derived from experimental design. The optimal concentrations of Er3+ and Yb3+ under 980 nm laser excitation were determined as 7.41 and 21.34%, respectively, while under 1550 nm laser excitation, the concentrations were 2.66 and 17.42%, respectively. The fluorescence emission spectra of the up-conversion samples were measured, revealing intense green and red emissions with peaks at 542, 546, and 654 nm under 980 nm excitation, and peaks at 546, 557, and 663 nm under 1550 nm excitation. These peaks correspond to transitions from 2H11/2 to 4I15/2, 4S3/2 to 4I15/2, and 4F9/2 to 4I15/2 energy levels. The relationship between up-conversion luminescence and laser operating current for the optimal samples under 980 nm and 1550 nm was investigated, uncovering that up-conversion luminescence occurs through both two-photon and three-photon processes. A detailed analysis and discussion of the up-conversion luminescence mechanisms were conducted. Furthermore, the relationship between up-conversion fluorescence and temperature for the optimal samples was studied, revealing excellent temperature-sensing characteristics under 980 nm and 1550 nm laser excitations. The calculated illumination region coordinates for the optimal samples under 980 nm and 1550 nm wavelength excitations were (0.5558, 0.4362) and (0.5256, 0.4687), respectively. The research highlights the potential of rare-earth ion-doped up-conversion luminescent materials for diverse anti-counterfeiting applications. In particular, the Y4GeO8: Yb3+/Er3+ phosphors, incorporating a dual-excitation mechanism, enhance the security of anti-counterfeiting strategies in multifaceted scenarios. The study underscores the promising developments in this field.

摘要 采用高温固相法成功合成了Er3+/Yb3+共掺杂Y4GeO8晶体粉末。通过 X 射线衍射(XRD)分析证实了所获得荧光粉的晶体结构为纯 Y4GeO8。根据实验设计得出的优化理论模型,建立了 Er3+/Yb3+ 掺杂浓度与发光强度的回归方程。在 980 nm 激光激发下,Er3+ 和 Yb3+ 的最佳浓度分别为 7.41% 和 21.34%;在 1550 nm 激光激发下,最佳浓度分别为 2.66% 和 17.42%。对上转换样品的荧光发射光谱进行了测量,结果显示,在 980 nm 激光激发下,绿色和红色发射强烈,峰值分别为 542、546 和 654 nm;在 1550 nm 激光激发下,峰值分别为 546、557 和 663 nm。这些峰值对应于 2H11/2 到 4I15/2、4S3/2 到 4I15/2 和 4F9/2 到 4I15/2 能级的跃迁。研究了 980 纳米和 1550 纳米波长下最佳样品的上转换发光与激光工作电流之间的关系,发现上转换发光是通过双光子和三光子过程发生的。对上转换发光机制进行了详细的分析和讨论。此外,还研究了最佳样品的上转换荧光与温度之间的关系,发现在 980 nm 和 1550 nm 激光激发下,上转换荧光具有出色的温度感应特性。在 980 nm 和 1550 nm 波长的激发下,最佳样品的照明区域坐标分别为 (0.5558, 0.4362) 和 (0.5256, 0.4687)。这项研究凸显了掺杂稀土离子的上转换发光材料在各种防伪应用中的潜力。尤其是 Y4GeO8:Yb3+/Er3+ 荧光粉,结合了双重激发机制,可在多方面提高防伪策略的安全性。这项研究强调了这一领域的发展前景。
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引用次数: 0
Simple Extension of Kitaev Chain for ({{mathcal{Z}}_{3}}) Parafermions 针对 $${{mathcal{Z}}_{3}}$ Parafermions 的基塔耶夫链的简单扩展
IF 0.5 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-09 DOI: 10.1134/S1068337224700075
T. S. Hakobyan, R. H. Varosyan, G. H. Harutunyan

A simple quantum chain with a topological phase is constructed. It is formed by parafermions (quasiparticles obeying the fractional statistics) with angular parameter (theta = {{2pi } mathord{left/ {vphantom {{2pi } 3}} right. kern-0em} 3}). The model is derived from the one-dimensional spin model with topological order protected by the ({{mathcal{Z}}_{3}} times {{mathcal{Z}}_{3}}~) symmetry (generalized cluster model). Parafermionic zero modes arising at the chain boundaries, which remain stable because of the vacuum gap and topological order, are constructed and studied.

摘要 构建了一个具有拓扑相的简单量子链。它是由具有角参数(theta = {{2pi })的旁费米子(服从分数统计的准粒子)构成的。mathord{left/ {vphantom {{2pi }3}}right.kern-0em} 3})。该模型源于一维自旋模型,其拓扑阶次受到({{mathcal{Z}}_{3}} times {{mathcal{Z}}_{3}}~)对称性的保护(广义簇模型)。我们构建并研究了在链边界产生的副非米子零模,这些零模由于真空间隙和拓扑秩序而保持稳定。
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引用次数: 0
Optical and EPR Spectroscopy of Microwave-Modified Natural Zeolite Activated with Zinc Oxide and Silver 用氧化锌和银活化的微波修饰天然沸石的光学和 EPR 光谱分析
IF 0.5 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-09 DOI: 10.1134/S1068337224700129
N. R. Aghamalyan, H. T. Gyulasaryan, E. A. Kafadaryan, M. N. Nersisyan, A. A. Sargsyan, V. V. Baghramyan

Samples of natural zeolite from the Nor-Kokhb deposit (Armenia), activated with zinc oxide (30% ZnO) and silver (30% ZnO + 5% Ag), were studied during chemical and thermal treatment by microwave and traditional methods. It was previously shown that microwave processing is 3 times faster than the traditional method. The X-ray diffraction analysis shows the presence of zeolite in the form of clinoptilolite and zinc oxide in the studied samples. Based on the results of optical and EPR spectroscopy, the presence of Fe3+ ions in the framework and extra-framework positions of the zeolite of the studied samples was revealed. The study of diffuse reflectance spectra showed that in zeolite, which is a wide-gap material (with a band gap of 4.14 eV), the activation of 30% ZnO decreases the band gap to 3.38 eV, and with additional activation with a silver (30% ZnO + 5% Ag) the bandgap decreases to 3.31 eV. The photocatalytic activity of natural zeolite activated with zinc oxide (30% ZnO) and silver (30% ZnO + 5% Ag) was studied according to the decomposition reaction of methylene blue under UV irradiation.

摘要 研究了用氧化锌(30% ZnO)和银(30% ZnO + 5%Ag)活化的来自 Nor-Kokhb 矿床(亚美尼亚)的天然沸石样品,这些样品通过微波和传统方法进行化学和热处理。之前的研究表明,微波处理比传统方法快 3 倍。X 射线衍射分析表明,在所研究的样品中存在沸石(clinoptilolite)和氧化锌。根据光学和 EPR 光谱分析的结果,发现所研究样品的沸石框架和框架外位置存在 Fe3+ 离子。对漫反射光谱的研究表明,沸石是一种宽带隙材料(带隙为 4.14 eV),30% ZnO 的活化会使带隙减小到 3.38 eV,而额外的银活化(30% ZnO + 5%Ag)会使带隙减小到 3.31 eV。根据亚甲基蓝在紫外线照射下的分解反应,研究了用氧化锌(30% ZnO)和银(30% ZnO + 5%Ag)活化的天然沸石的光催化活性。
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引用次数: 0
Influence of Magnetic Field on the Electron States in CdSe Nanoplatelets with Impurities 磁场对含杂质硒化镉纳米片中电子态的影响
IF 0.5 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-09 DOI: 10.1134/S1068337224700154
D. A. Baghdasaryan, A. A. Nahapetyan, V. A. Harutyunyan, H. A. Sarkisyan

In the presence of the axial magnetic field, the behavior of the electron in the colloidal CdSe nanoplatelet containing multi-impurity centers has been investigated. The two-dimensional Schrodinger equation with the effective potential of the interaction of electron and impurity centers, localized in the central plane of the nanoplatelet has been obtained. It has been shown that the magnetic field influence on the electron energy levels weakens with increasing the number of impurities.

摘要 在轴向磁场的作用下,研究了电子在含有多杂质中心的胶体碲化镉纳米微粒中的行为。得到了电子与杂质中心相互作用的有效势能的二维薛定谔方程,该势能位于纳米板的中心平面。研究表明,磁场对电子能级的影响随着杂质数量的增加而减弱。
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引用次数: 0
A Prototype of Electromagnetic Calorimeter Constructed of Lead Tungstate 用钨酸铅制造的电磁量热计原型
IF 0.5 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-09 DOI: 10.1134/S1068337224700026
H. Mkrtchyan, H. Marukyan, A. Mkrtchyan, A. Shahinyan, V. Tadevosyan, H. Voskanyan, A. Movsisyan, A. Hoghmrtsyan

The article presents the results of studies of the characteristics of lead tungstate crystals (PbWO4). Measurements of light transmission and light output from the passage of cosmic muons were carried out. The average light transmittance of crystals in the transverse direction is 62.82, 68.38, and 75.68% at wavelengths λ = 360, 420, and 620 nm, and the light output is ~16 pe/MeV. A prototype of an electromagnetic calorimeter was designed and built from crystals arranged in a 4 × 4 matrix which has been tested by cosmic muons. The results obtained confirm the conclusions of other groups in the Electron-Ion Collider collaboration that the quality of the crystals produced by CRYTUR meets the requirements for an electromagnetic calorimeter, and that they can be the basis for its creation.

摘要 本文介绍了对钨酸铅晶体(PbWO4)特性的研究结果。对宇宙μ介子通过时的透光率和光输出进行了测量。在波长 λ = 360、420 和 620 纳米时,晶体在横向的平均透光率分别为 62.82%、68.38% 和 75.68%,光输出为 ~16 pe/MeV。用 4 × 4 矩阵排列的晶体设计和制造了一个电磁量热计原型,并用宇宙μ介子对其进行了测试。获得的结果证实了电子-离子对撞机合作项目中其他小组的结论,即 CRYTUR 生产的晶体质量符合电磁量热计的要求,可以作为制造电磁量热计的基础。
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引用次数: 0
Investigation of Production Possibility of Medical Isotope 155Tb on Cyclotron C18/18 研究在回旋加速器 C18/18 上生产医用同位素 155Tb 的可能性
IF 0.5 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-09 DOI: 10.1134/S1068337224700038
R. V. Avetisyan, A. G. Barseghyan, Yu. H. Gharibyan, A. V. Gyurjinyan, I. A. Kerobyan, H. A. Mkrtchyan, A. Yu. Petrosyan

The results of the studies on the production of 155Tb isotope, which is used in theranostic applications for oncological diseases, utilizing the proton beam of the medical cyclotron C18/18 are presented. The measurements of the induced activity were carried out using the activation method, followed by spectrometric analysis. Natural gadolinium was used as the main target. Excitation functions were calculated for the natGd(p, xn)155Tb reactions using TALYS 1.96 and EMPIRE 3.2 theoretical nuclear codes. The measured cross-section values were compared with the results of the theoretical calculations as well as with the experimental data from other works. The experimental value of the integral activity of the radionuclide 155Tb was compared to the results obtained with the TALYS 1.96 code and with early published data.

摘要 介绍了利用 C18/18 型医用回旋加速器的质子束生产 155Tb 同位素的研究结果。使用活化法对诱导活性进行了测量,然后进行了光谱分析。天然钆被用作主要靶标。使用 TALYS 1.96 和 EMPIRE 3.2 理论核代码计算了 natGd(p, xn)155Tb 反应的激发函数。测得的截面值与理论计算结果以及其他研究的实验数据进行了比较。放射性核素 155Tb 的积分活度实验值与使用 TALYS 1.96 代码获得的结果以及早期公布的数据进行了比较。
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引用次数: 0
Wettability of Black Silicon Layers Formed by Different Methods 不同方法形成的黑硅层的润湿性
IF 0.5 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-09 DOI: 10.1134/S1068337224700105
G. Y. Ayvazyan, A. A. Vardanyan, A. V. Semchenko

The wettability of black silicon (b-Si) layers formed by reactive ion etching, metal-assisted chemical etching, and laser-induced etching has been studied. The wetting contact angles of the prepared samples with deionized water, glycerol, diiodomethane, and ethylene glycol were determined. It has been shown that the silicon oxide surface film and the enlargement area factor of b-Si layers have a significant influence on their wettability, varying from hydrophilic to hydrophobic properties.

摘要 研究了通过反应离子蚀刻、金属辅助化学蚀刻和激光诱导蚀刻形成的黑硅(b-Si)层的润湿性。测定了制备的样品与去离子水、甘油、二碘甲烷和乙二醇的润湿接触角。结果表明,氧化硅表面膜和 b-Si 层的增大面积因子对其润湿性有显著影响,其润湿性从亲水性到疏水性不等。
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引用次数: 0
Numerical Modeling of Cooling Processes of a Locally Inclined Target with a Nirta Solid Compact Target Module 利用 Nirta 固体紧凑型靶模块对局部倾斜靶的冷却过程进行数值建模
IF 0.5 4区 物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-09 DOI: 10.1134/S1068337224700014
A. Avetisyan, R. Dallakyan, N. Dobrovolski, A. Grigoryan, A. Manukyan, A. Melkonyan, I. Sinenko

Locally inclined targets are developed to produce medical radioisotopes which can be used for high-intensity proton beam irradiation. The results of a numerical analysis of thermal processes in locally inclined targets made of pressed molybdenum powder with a niobium target holder for the Nirta Solid Compact Model TS06 target module are presented. Computations were carried out using the Fluid Flow (Fluent) engineering package of the ANSYS Workbench 18.2 software platform for variants of targets with linear and axially symmetric grooves in the proton irradiation zone. It has been shown that using various models of locally inclined targets with a cooling area increased by 2.37 times, it is possible to increase the irradiation current by 1.34–1.46 times compared to a standard flat target. An analysis of the distribution of heat flows and temperatures in the targets was also carried out.

摘要开发局部倾斜靶是为了生产可用于高强度质子束辐照的医用放射性同位素。本文介绍了对 Nirta Solid Compact Model TS06 靶件模块的局部倾斜靶件中的热过程进行数值分析的结果,该靶件由带铌靶架的压制钼粉制成。计算是使用 ANSYS Workbench 18.2 软件平台的流体流动(Fluent)工程软件包进行的,适用于质子辐照区内带有线性和轴对称凹槽的各种靶件。结果表明,使用冷却面积增加 2.37 倍的各种局部倾斜靶模型,可以使辐照电流比标准平面靶增加 1.34-1.46 倍。此外,还对靶中的热流和温度分布进行了分析。
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引用次数: 0
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Journal of Contemporary Physics (Armenian Academy of Sciences)
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