Formation and structural growth of two dimensional layer of hafnene on Ir (1 1 1) surface

K. Tadele, Q. Zhang, B. Wang

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

We have investigated the structures and stability of two dimensional (2D) Hf clusters on Ir(1 1 1) surface as the initial stage of hafnene growth using first principles density functional theory (DFT) with the generalized gradient approximation. The study reveals that the Ir supported Hf clusters of n hexagonal rings prefer a nearly flat honeycomb structure, with the exception of n = 1. The 2D Hf clusters, unlike to that of free-standing hafnene monolayer, exhibits no magnetic property mainly due to strong hybridization with the Ir(1 1 1) surface. A thorough investigation has also identifies the most stable structures and corresponding physical properties of free standing HfN(N≤24) clusters.
Original languageEnglish
Pages (from-to)60-65
Number of pages6
JournalChemical Physics Letters
Volume712
DOIs
Publication statusPublished - 2018

Fingerprint

Dive into the research topics of 'Formation and structural growth of two dimensional layer of hafnene on Ir (1 1 1) surface'. Together they form a unique fingerprint.

Cite this