尺寸对金属晶体德拜温度的影响。

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL
Xiaobao Jiang, Hongchao Sheng and Beibei Xiao
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引用次数: 0

摘要

了解在中尺度上表现出不同性质的材料的物理起源对多功能量子器件的设计和制造具有重要意义。在这项工作中,我们提出了一个没有任何可调参数的简单模型来描述金属纳米晶体的德拜温度θD(D)的尺寸(D)依赖性。θD(D)随D的减小而下降,相关实验和模拟结果验证了这一点。此外,我们发现不同金属元素的θD(D)的尺寸依赖性差异由固液界面能γsl和表面应力f的比值决定,并且纳米晶体的D越小,γsl/f对θD(D)/θD的影响就越大。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Size effect on Debye temperature of metal crystals

Size effect on Debye temperature of metal crystals

Understanding the physical origin of materials exhibiting different properties at the mesoscale is of great significance for the design and fabrication of multifunctional quantum devices. In this work, we proposed a simple model without any adjustable parameters to describe the size (D) dependence of Debye temperature ΘD(D) of metallic nanocrystals. ΘD(D) drops with the decrease of D, which is verified by relevant experimental and simulation results. In addition, we found that the difference in the size dependence of ΘD(D) of different metal elements is determined by the ratio of the solid/liquid interface energy γsl and surface stress f, and the smaller the D of the nanocrystals, the greater the influence of γsl/f on ΘD(D)D.

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来源期刊
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
5.50
自引率
9.10%
发文量
2675
审稿时长
2.0 months
期刊介绍: Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
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