Abstract
First-principles calculations of total energies and magnetism of Zn1−xMnxO thin film are performed by simulating it with a slab consisting of seven layers along (112̄0). It is shown that a single Mn atom shows very little preference for the site it occupies. This is consistent with the experimental finding that Mn atoms are homogeneously distributed in ZnO films. As the concentration of Mn atoms increases, antiferromagnetic coupling between Mn atoms becomes more favorable, and there is a tendency for Mn atoms to form clusters around oxygen, in agreement with recent experiments.
References
20
Referenced
27
10.1126/science.287.5455.1019
/ Science (2000)10.1126/science.281.5379.951
/ Science (1998)10.1126/science.1058371
/ Science (2001)10.1103/PhysRevB.45.13244
/ Phys. Rev. B (1992)10.1021/jp992581o
/ J. Phys. Chem. A (1999)10.1103/PhysRevLett.86.5255
/ Phys. Rev. Lett. (2001)10.1016/S0009-2614(99)00976-8
/ Chem. Phys. Lett. (1999)10.1103/PhysRevB.50.17953
/ Phys. Rev. B (1994)10.1103/PhysRevB.45.13244
/ Phys. Rev. B (1992)10.1103/PhysRevB.54.11169
/ Phys. Rev. B (1996)10.1103/PhysRevB.13.5188
/ Phys. Rev. B (1976)10.1103/PhysRevB.67.035403
/ Phys. Rev. B (2003)10.1063/1.1556125
/ J. Appl. Phys. (2003){'key': '2024020403080490500_r14'}
10.1063/1.1590430
/ Appl. Phys. Lett. (2003)10.1063/1.1384478
/ Appl. Phys. Lett. (2001)10.1063/1.1348323
/ Appl. Phys. Lett. (2001)10.1063/1.1556126
/ J. Appl. Phys. (2003)10.1016/S0022-3697(03)00126-4
/ J. Phys. Chem. Solids (2003)10.1143/JJAP.39.L555
/ Jpn. J. Appl. Phys., Part 2 (2000)
Dates
Type | When |
---|---|
Created | 21 years, 3 months ago (May 7, 2004, 10:22 a.m.) |
Deposited | 1 year, 6 months ago (Feb. 3, 2024, 10:08 p.m.) |
Indexed | 1 year, 6 months ago (Feb. 3, 2024, 10:41 p.m.) |
Issued | 21 years, 3 months ago (May 24, 2004) |
Published | 21 years, 3 months ago (May 24, 2004) |
Published Print | 21 years, 3 months ago (May 24, 2004) |
@article{Wang_2004, title={First-principles study of magnetism in (112̄0) Zn1−xMnxO thin film}, volume={84}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.1755834}, DOI={10.1063/1.1755834}, number={21}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Wang, Q. and Jena, P.}, year={2004}, month=may, pages={4170–4172} }