J 2011

Magnetically dead layers at sp-impurity-decorated grain boundaries and surfaces in nickel

VŠIANSKÁ, Monika and Mojmír ŠOB

Basic information

Original name

Magnetically dead layers at sp-impurity-decorated grain boundaries and surfaces in nickel

Authors

VŠIANSKÁ, Monika (203 Czech Republic, belonging to the institution) and Mojmír ŠOB (203 Czech Republic, guarantor, belonging to the institution)

Edition

Physical Review B, The American Phys. Society, 2011, 1098-0121

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10302 Condensed matter physics

Country of publisher

United States of America

Confidentiality degree

není předmětem státního či obchodního tajemství

References:

Impact factor

Impact factor: 3.691

RIV identification code

RIV/00216224:14740/11:00050046

Organization unit

Central European Institute of Technology

DOI

UT WoS

000293127900005

Keywords in English

magnetically dead layers; sp-impurity-decorated grain boundaries and surfaces; nickel

Tags

Tags

International impact, Reviewed
Změněno: 10/4/2012 23:43, Olga Křížová

Abstract

V originále

With the help of ab initio electronic structure calculations, we study segregation of the sp elements (Al, Si, P, S, Ga, Ge, As, Se, In, Sn, Sb, and Te) at the Sigma5(210) grain boundary (GB) and (210) free surface (FS) in fcc FM nickel. Whereas there is a slight enhancement of magnetization at the clean GB and FS with respect to bulk nickel (3–7% and 24%, respectively), most of these impurities nearly kill or substantially reduce the magnetic moments at the FS and, when segregating interstitially at the GB (i.e., Si, P, S, Ge, As, and Se), they produce magnetically dead layers at the boundary. We demonstrate that the existence of magnetically dead layers is a common phenomenon at the sp-impurity-decorated GB and FS in nickel. It is caused by a strong hybridization of sp states of the impurities with the d states of nickel and a redistribution of electron states in both majority and minority bands.

Links

ED1.1.00/02.0068, research and development project
Name: CEITEC - central european institute of technology
GA202/09/1786, research and development project
Name: Teoretické studium hranic zrn s bodovými poruchami a jejich agregáty
Investor: Czech Science Foundation, Theoretical studies of grain boundaries with point defects and their aggregates
GD106/09/H035, research and development project
Name: Víceúrovňový design pokrokových materiálů
Investor: Czech Science Foundation
MSM0021622410, plan (intention)
Name: Fyzikální a chemické vlastnosti pokročilých materiálů a struktur
Investor: Ministry of Education, Youth and Sports of the CR, Physical and chemical properties of advanced materials and structures
MUNI/A/0980/2009, interní kód MU
Name: Molekulární a supramolekulární stavební bloky pro nanostrukturované materiály (Acronym: MOSTNAMAT)
Investor: Masaryk University, Category A