掺硒铟硒纳米硫系合金物理参数的组分依赖性

IF 1.3 4区 材料科学 Q3 CRYSTALLOGRAPHY Phase Transitions Pub Date : 2023-08-09 DOI:10.1080/01411594.2023.2244113
Diksha Thakur, V. S. Rangra
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引用次数: 0

摘要

InSe是一种III-VI半导体层状化合物,在存储器、太阳能电池、红外传感器、开关器件和光纤等领域具有潜在的应用前景。本文讨论了In0.1Se0.9-x Sb x (x = 0,0.04, 0.08, 0.12)硫系合金的各种物理参数随Se和Sb组成的变化而变化。物理参数包括平均配位数、约束数、软盘模式、孤对电子数、化学计量偏差、平均雾化热、平均键能、密度、摩尔体积、紧致度、内聚能、电负性、能带隙、导价能带能和玻璃化转变温度的理论计算。随着Sb含量的增加,原子的平均配位数、平均键能、平均原子化热和密度增加,而孤对电子和软盘电子的数量减少。利用Tichy-Ticha法和Lankhorst法计算了玻璃化转变温度的理论值。
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Compositional dependence of physical parameters of Sb-doped InSe nanochalcogenide alloys
ABSTRACT InSe is a III-VI semiconducting layered compound having potential applications in memories, solar cells, infrared sensors, switching devices and optical fibers. In this article various physical parameters of In0.1Se0.9-x Sb x (x = 0, 0.04, 0.08, 0.12) chalcogenide alloy depending on the varying composition of Se and Sb are discussed. The physical parameters include the theoretical calculations of average coordination number, number of constraints, floppy modes, number of lone pair electrons, deviation of stoichiometry, average heat of atomization, mean bond energy, density, molar volume, compactness, cohesive energy, electronegativity, energy band gap, conduction and valance band energy and glass transition temperature. The number of lone pair electrons and floppy modes is found to decrease, whereas the average coordination number, mean bond energy, average heat of atomization and density are found to increase with increasing Sb content. The theoretical values of glass transition temperature are calculated using the Tichy-Ticha and Lankhorst approach.
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来源期刊
Phase Transitions
Phase Transitions 物理-晶体学
CiteScore
3.00
自引率
6.20%
发文量
61
审稿时长
1.4 months
期刊介绍: Phase Transitions is the only journal devoted exclusively to this important subject. It provides a focus for papers on most aspects of phase transitions in condensed matter. Although emphasis is placed primarily on experimental work, theoretical papers are welcome if they have some bearing on experimental results. The areas of interest include: -structural phase transitions (ferroelectric, ferroelastic, multiferroic, order-disorder, Jahn-Teller, etc.) under a range of external parameters (temperature, pressure, strain, electric/magnetic fields, etc.) -geophysical phase transitions -metal-insulator phase transitions -superconducting and superfluid transitions -magnetic phase transitions -critical phenomena and physical properties at phase transitions -liquid crystals -technological applications of phase transitions -quantum phase transitions Phase Transitions publishes both research papers and invited articles devoted to special topics. Major review papers are particularly welcome. A further emphasis of the journal is the publication of a selected number of small workshops, which are at the forefront of their field.
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