Atomic and electronic structure of the corundum (0001) surface

V. E. Puchin; E. A. Kotomin; A. L. Shluger

Atomic and electronic structure of the corundum (0001) surface

V. E. Puchin^*
, E. A. Kotomin
, A. L. Shluger

^*Corresponding author for this work

Laboratory of Kinetics in Self-Organizing Systems, Institute of Solid State Physics

University of Latvia

Research output: Contribution to journal › Conference article › peer-review

2 Citations (Scopus)

Abstract

The electronic structure and geometry of the Al terminated corundum (0001) surface were studied using a slab model within the ab-initio Hartree-Fock technique. The distance between the top Al plane and the next O basal plane is found to be considerably reduced on relaxation (by 0.57 angstrom, i.e. by 68% of the corresponding interlayer distance in the bulk). An interpretation of experimental photoelectron spectra (UPS HeI) and metastable impact electron spectra (MIES) is given. Calculated projected densities of states exhibit a strong dependence on the relaxation of surface atoms.

Original language	English
Pages (from-to)	721-725
Number of pages	5
Journal	Materials Research Society Symposium - Proceedings
Volume	453
Publication status	Published - 1997
Event	Proceedings of the 1996 MRS Fall Symposium - Boston, MA, USA Duration: 2 Dec 1996 → 5 Dec 1996

Cite this

@article{101d13f6273e42709b502237ecb6cfe9,

title = "Atomic and electronic structure of the corundum (0001) surface",

abstract = "The electronic structure and geometry of the Al terminated corundum (0001) surface were studied using a slab model within the ab-initio Hartree-Fock technique. The distance between the top Al plane and the next O basal plane is found to be considerably reduced on relaxation (by 0.57 angstrom, i.e. by 68\% of the corresponding interlayer distance in the bulk). An interpretation of experimental photoelectron spectra (UPS HeI) and metastable impact electron spectra (MIES) is given. Calculated projected densities of states exhibit a strong dependence on the relaxation of surface atoms.",

author = "Puchin, \{V. E.\} and Kotomin, \{E. A.\} and Shluger, \{A. L.\}",

year = "1997",

language = "English",

volume = "453",

pages = "721--725",

journal = "Materials Research Society Symposium - Proceedings",

issn = "0272-9172",

publisher = "Materials Research Society",

note = "Proceedings of the 1996 MRS Fall Symposium ; Conference date: 02-12-1996 Through 05-12-1996",

}

TY - JOUR

T1 - Atomic and electronic structure of the corundum (0001) surface

AU - Puchin, V. E.

AU - Kotomin, E. A.

AU - Shluger, A. L.

PY - 1997

Y1 - 1997

N2 - The electronic structure and geometry of the Al terminated corundum (0001) surface were studied using a slab model within the ab-initio Hartree-Fock technique. The distance between the top Al plane and the next O basal plane is found to be considerably reduced on relaxation (by 0.57 angstrom, i.e. by 68% of the corresponding interlayer distance in the bulk). An interpretation of experimental photoelectron spectra (UPS HeI) and metastable impact electron spectra (MIES) is given. Calculated projected densities of states exhibit a strong dependence on the relaxation of surface atoms.

AB - The electronic structure and geometry of the Al terminated corundum (0001) surface were studied using a slab model within the ab-initio Hartree-Fock technique. The distance between the top Al plane and the next O basal plane is found to be considerably reduced on relaxation (by 0.57 angstrom, i.e. by 68% of the corresponding interlayer distance in the bulk). An interpretation of experimental photoelectron spectra (UPS HeI) and metastable impact electron spectra (MIES) is given. Calculated projected densities of states exhibit a strong dependence on the relaxation of surface atoms.

UR - https://www.scopus.com/pages/publications/0030685659

M3 - Conference article

AN - SCOPUS:0030685659

SN - 0272-9172

VL - 453

SP - 721

EP - 725

JO - Materials Research Society Symposium - Proceedings

JF - Materials Research Society Symposium - Proceedings

T2 - Proceedings of the 1996 MRS Fall Symposium

Y2 - 2 December 1996 through 5 December 1996

ER -

Atomic and electronic structure of the corundum (0001) surface

Abstract

Other files and links

Fingerprint

Cite this