The atomic structure of a bulk metallic glass resolved by scanning tunneling microscopy and ab-initio molecular dynamics simulation

被引：11

作者：

Belosludov, R. V. ^{[1
]}

Oreshkin, A. I. ^{[2
,3
]}

Oreshkin, S. I. ^{[4
]}

Muzychenko, D. A. ^{[2
]}

Kato, H. ^{[1
]}

Louzguine-Luzgin, D. V. ^{[5
,6
]}

机构：

[1] Tohoku Univ, Inst Mat Res, Aoba Ku, Sendai, Miyagi 9808577, Japan

[2] Moscow MV Lomonosov State Univ, Dept Phys, Moscow 119991, Russia

[3] Natl Univ Sci & Technol MISiS, Moscow 119049, Russia

[4] Moscow MV Lomonosov State Univ, Sternberg Astron Inst, Moscow 119234, Russia

[5] Tohoku Univ, WPI Adv Inst Mat Res, Aoba Ku, Sendai, Miyagi 9808577, Japan

[6] Tohoku Univ, AIST, Natl Inst Adv Ind Sci & Technol AIST, MathAM OIL, Sendai, Miyagi 9808577, Japan

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2020年 / 816卷

关键词：

Scanning tunneling microscopy; Atomic structure; ab initio molecular dynamics; Density functional theory; Electronic structure; NI-NB; IN-SITU; VISUALIZATION; PECULIARITIES; LIQUID;

D O I：

10.1016/j.jallcom.2019.152680

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Scanning tunneling microscopy (STM) technique is widely used to study the electronic and structural properties of nano structures. Here we study the atomic structure of a Ni-Nb BMG by means of ultra high vacuum (UHV) STM in local areas of nanometer scale size, and report the direct atomic structure observation supported by ab initio molecular dynamics (MD) and density functional theory (DFT) simulations used to understand the observed structural and electronic features. It was possible to resolve the atomic surface structure of a bulk metallic glassy sample while MD simulation explained relatively large interatomic distances observed using STM. (C) 2019 Elsevier B.V. All rights reserved.

引用

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