First-principles calculations on FeWB bulk and FeWB(001)/α-Fe(111) interface

First-principles calculations on FeWB bulk and FeWB(001)/α-Fe(111) interface

FeWB bulk and FeWB(001)/ α -Fe(111) interface were studied by first-principles calculations. FeWB bulk bonding has the mixed characteristics of metallicity, covalency and ionicity, among which the metallicity is the most obvious. Such combination endows FeWB with promising toughness and excellent el...

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Bibliographic Details
Main Authors: Dengming Zhuang, Ying Liu, Na Jin, Jun Li, Zhinan Cao, Jiteng Zhang
Format: Article
Language:English
Published: IOP Publishing 2021-01-01
Series:Materials Research Express
Subjects:
First-principles calculations
Atomic structure
FeWB/α-Fe interface
Adhesion work
Electronic properties
Online Access:https://doi.org/10.1088/2053-1591/abf8e6

Internet

https://doi.org/10.1088/2053-1591/abf8e6

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