Universität zu Köln

Wu, Hua ORCID: 0000-0003-1280-202X, Stroppa, Alessandro ORCID: 0000-0003-1000-4745, Sakong, Sung ORCID: 0000-0001-9777-7489, Picozzi, Silvia ORCID: 0000-0002-3232-788X, Scheffler, Matthias ORCID: 0000-0002-1280-9873 and Kratzer, Peter (2010). Magnetism in C- or N-doped MgO and ZnO: A Density-Functional Study of Impurity Pairs. Phys. Rev. Lett., 105 (26). COLLEGE PK: AMER PHYSICAL SOC. ISSN 0031-9007

Full text not available from this repository.

Abstract

It is shown that substitution of C or N for O recently proposed as a way to create ferromagnetism in otherwise nonmagnetic oxide insulators is curtailed by formation of impurity pairs, and the resultant C-2 spin 1 dimers as well as the isoelectronic N-2(2+) interact antiferromagnetically in p-type MgO. For C-doped ZnO, however, we demonstrate using the Heyd-Scuseria-Ernzerhof hybrid functional that a resonance of the spin-polarized C-2 pp pi* states with the host conduction band results in a long-range ferromagnetic interaction. Magnetism of open-shell impurity molecules is proposed as a possible route to d(0)-ferromagnetism in oxide spintronic materials.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Wu, Hua UNSPECIFIED orcid.org/0000-0003-1280-202X UNSPECIFIED Stroppa, Alessandro UNSPECIFIED orcid.org/0000-0003-1000-4745 UNSPECIFIED Sakong, Sung UNSPECIFIED orcid.org/0000-0001-9777-7489 UNSPECIFIED Picozzi, Silvia UNSPECIFIED orcid.org/0000-0002-3232-788X UNSPECIFIED Scheffler, Matthias UNSPECIFIED orcid.org/0000-0002-1280-9873 UNSPECIFIED Kratzer, Peter UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-490408
DOI:	10.1103/PhysRevLett.105.267203
Journal or Publication Title:	Phys. Rev. Lett.
Volume:	105
Number:	26
Date:	2010
Publisher:	AMER PHYSICAL SOC
Place of Publication:	COLLEGE PK
ISSN:	0031-9007
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language FERROMAGNETS; ELEMENTS Multiple languages Physics, Multidisciplinary Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/49040