Standard

Ab initio calculations of the LaMnO 3 surface properties. / Evarestov, R. A.; Kotomin, E. A.; Fuks, D.; Felsteiner, J.; Maier, J.

в: Applied Surface Science, Том 238, № 1-4 SPEC. ISS., 15.11.2004, стр. 457-463.

Результаты исследований: Научные публикации в периодических изданиях › статья в журнале по материалам конференции › Рецензирование

Harvard

Evarestov, RA, Kotomin, EA, Fuks, D, Felsteiner, J & Maier, J 2004, 'Ab initio calculations of the LaMnO 3 surface properties', Applied Surface Science, Том. 238, № 1-4 SPEC. ISS., стр. 457-463. https://doi.org/10.1016/j.apsusc.2004.05.171

APA

Evarestov, R. A., Kotomin, E. A., Fuks, D., Felsteiner, J., & Maier, J. (2004). Ab initio calculations of the LaMnO 3 surface properties. Applied Surface Science, 238(1-4 SPEC. ISS.), 457-463. https://doi.org/10.1016/j.apsusc.2004.05.171

Vancouver

Evarestov RA, Kotomin EA, Fuks D, Felsteiner J, Maier J. Ab initio calculations of the LaMnO 3 surface properties. Applied Surface Science. 2004 Нояб. 15;238(1-4 SPEC. ISS.):457-463. https://doi.org/10.1016/j.apsusc.2004.05.171

Author

Evarestov, R. A. ; Kotomin, E. A. ; Fuks, D. ; Felsteiner, J. ; Maier, J. / Ab initio calculations of the LaMnO 3 surface properties. в: Applied Surface Science. 2004 ; Том 238, № 1-4 SPEC. ISS. стр. 457-463.

BibTeX

@article{28c440df4e2245178b76f446fa427f10,
title = "Ab initio calculations of the LaMnO 3 surface properties",
abstract = " We present the results of ab initio Hartree-Fock calculations of the LaMnO 3 (001) and (110) polar surfaces. Using 7- and 8-plane slabs periodic in 2D along the x, y-axes, we compare the properties of a stoichiometric slabs with structural oxygen vacancies, and non-stoichiometric, defect-free slabs, analyze the dispersion of the effective charges near the surface, and calculate the surface energy, for both ferromagnetic and antiferromagnetic spin orderings in a slab.",
keywords = "Ab initio calculations, Electronic band structure, LaMnO, Surfaces and interfaces",
author = "Evarestov, {R. A.} and Kotomin, {E. A.} and D. Fuks and J. Felsteiner and J. Maier",
note = "Funding Information: This study was partly supported by the German-Israeli Foundation (project # GIF G-703-41.10/2001 to EK, JF and JM). The authors thank E. Heifets, S. Dorfman and J. Fleig for fruitful discussions.; APHYS 2003 ; Conference date: 13-10-2003 Through 18-10-2003",
year = "2004",
month = nov,
day = "15",
doi = "10.1016/j.apsusc.2004.05.171",
language = "English",
volume = "238",
pages = "457--463",
journal = "Applied Surface Science",
issn = "0169-4332",
publisher = "Elsevier",
number = "1-4 SPEC. ISS.",

}

RIS

TY - JOUR

T1 - Ab initio calculations of the LaMnO 3 surface properties

AU - Evarestov, R. A.

AU - Kotomin, E. A.

AU - Fuks, D.

AU - Felsteiner, J.

AU - Maier, J.

N1 - Funding Information: This study was partly supported by the German-Israeli Foundation (project # GIF G-703-41.10/2001 to EK, JF and JM). The authors thank E. Heifets, S. Dorfman and J. Fleig for fruitful discussions.

PY - 2004/11/15

Y1 - 2004/11/15

N2 - We present the results of ab initio Hartree-Fock calculations of the LaMnO 3 (001) and (110) polar surfaces. Using 7- and 8-plane slabs periodic in 2D along the x, y-axes, we compare the properties of a stoichiometric slabs with structural oxygen vacancies, and non-stoichiometric, defect-free slabs, analyze the dispersion of the effective charges near the surface, and calculate the surface energy, for both ferromagnetic and antiferromagnetic spin orderings in a slab.

AB - We present the results of ab initio Hartree-Fock calculations of the LaMnO 3 (001) and (110) polar surfaces. Using 7- and 8-plane slabs periodic in 2D along the x, y-axes, we compare the properties of a stoichiometric slabs with structural oxygen vacancies, and non-stoichiometric, defect-free slabs, analyze the dispersion of the effective charges near the surface, and calculate the surface energy, for both ferromagnetic and antiferromagnetic spin orderings in a slab.

KW - Ab initio calculations

KW - Electronic band structure

KW - LaMnO

KW - Surfaces and interfaces

UR - http://www.scopus.com/inward/record.url?scp=4644229378&partnerID=8YFLogxK

U2 - 10.1016/j.apsusc.2004.05.171

DO - 10.1016/j.apsusc.2004.05.171

M3 - Conference article

AN - SCOPUS:4644229378

VL - 238

SP - 457

EP - 463

JO - Applied Surface Science

JF - Applied Surface Science

SN - 0169-4332

IS - 1-4 SPEC. ISS.

T2 - APHYS 2003

Y2 - 13 October 2003 through 18 October 2003

ER -

ID: 84354107