Correlation between vibrational anomalies and emergent anharmonicity of the local potential energy landscape in metallic glasses

doi:10.1103/PhysRevB.105.014204

CORC > 力学研究所 > 中国科学院力学研究所 > 非线性力学国家重点实验室

	Correlation between vibrational anomalies and emergent anharmonicity of the local potential energy landscape in metallic glasses
	Yang, Zeng-Yu 3,4; Wang, Yun-Jiang 3,4; Zaccone, Alessio 1,2
刊名	PHYSICAL REVIEW B
	2022-01-12
卷号	105 期号:1 页码:11
ISSN号	2469-9950
DOI	10.1103/PhysRevB.105.014204
通讯作者	Wang, Yun-Jiang(yjwang@imech.ac.cn)
英文摘要	The boson peak (BP) is a universal feature in the Raman and inelastic scattering spectra of both disordered and crystalline materials. Here, through a set of atomistically resolved characterizations of metallic glasses, we uncover a robust inverse proportionality between the intensity of the boson peak and the activation energy of excitations in the potential energy landscape (PEL). Larger boson peaks are linked with shallower basins and lower activation barriers and, consequently, with emergent anharmonic sectors of the PEL. Numerical evidence from atomistic simulations indicates that THz atomic vibrations contributing the most to the BP in atomic glasses are strongly correlated with such emergent anharmonicity of the PEL, as evidenced through very large values of the atomic- and mode-resolved Gruneisen parameter found for the atomic vibrations that constitute the BP. These results provide a direct bridge between the vibrational spectrum and the topology of the PEL in amorphous solids.
资助项目	National Natural Science Foundation of China[12072344] ; Youth Innovation Promotion Association of the Chinese Academy of Sciences[2017025] ; U.S. Army Research Office[W911NF-19-2-0055]
WOS关键词	BOSON-PEAK ; COOPERATIVE MOTION ; RAMAN-SCATTERING ; DYNAMICS ; CRYSTALS ; SOUND ; CONDUCTIVITY ; ATTENUATION ; RELAXATION ; ELASTICITY
WOS研究方向	Materials Science ; Physics
语种	英语
WOS记录号	WOS:000752506500001
资助机构	National Natural Science Foundation of China ; Youth Innovation Promotion Association of the Chinese Academy of Sciences ; U.S. Army Research Office
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/88581]
专题	力学研究所_非线性力学国家重点实验室
通讯作者	Wang, Yun-Jiang
作者单位	1.Univ Cambridge, Dept Chem Engn & Biotechnol, Cambridge CB3 0AS, England 2.Univ Milan, Dept Phys A Pontremoli, Via Celoria 16, I-20133 Milan, Italy 3.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China 4.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Yang, Zeng-Yu,Wang, Yun-Jiang,Zaccone, Alessio. Correlation between vibrational anomalies and emergent anharmonicity of the local potential energy landscape in metallic glasses[J]. PHYSICAL REVIEW B,2022,105(1):11.
APA	Yang, Zeng-Yu,Wang, Yun-Jiang,&Zaccone, Alessio.(2022).Correlation between vibrational anomalies and emergent anharmonicity of the local potential energy landscape in metallic glasses.PHYSICAL REVIEW B,105(1),11.
MLA	Yang, Zeng-Yu,et al."Correlation between vibrational anomalies and emergent anharmonicity of the local potential energy landscape in metallic glasses".PHYSICAL REVIEW B 105.1(2022):11.