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Titolo:
HIGH-PRECISION DETERMINATION OF ATOMIC POSITIONS IN CRYSTALS - THE CASE OF 6H-SIC AND 4H-SIC
Autore:
BAUER A; KRAUSSLICH J; DRESSLER L; KUSCHNERUS P; WOLF J; GOETZ K; KACKELL P; FURTHMULLER J; BECHSTEDT F;
Indirizzi:
UNIV JENA,INST OPT & QUANTENELEKT,MAX WIEN PL 1 D-07743 JENA GERMANY UNIV JENA,INST FESTKORPERTHEORIE & THEORET OPT D-07743 JENA GERMANY
Titolo Testata:
Physical review. B, Condensed matter
fascicolo: 5, volume: 57, anno: 1998,
pagine: 2647 - 2650
SICI:
0163-1829(1998)57:5<2647:HDOAPI>2.0.ZU;2-C
Fonte:
ISI
Lingua:
ENG
Soggetto:
SIC POLYTYPES; PSEUDOPOTENTIALS; RELAXATION; SILICON;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
20
Recensione:
Indirizzi per estratti:
Citazione:
A. Bauer et al., "HIGH-PRECISION DETERMINATION OF ATOMIC POSITIONS IN CRYSTALS - THE CASE OF 6H-SIC AND 4H-SIC", Physical review. B, Condensed matter, 57(5), 1998, pp. 2647-2650

Abstract

The atomic structures of the hexagonal 6H and 4H polytypes of SiC aredetermined by means of high-precision x-ray-diffraction measurements and first-principles calculations. The cell-internal relaxations whichconform with the space-group symmetry are fully taken into account. Since the tetrahedra are distorted along the [0001] direction, an analysis of ''quasiforbidden'' reflections is possible. The measured and calculated data are compared and discussed in detail especially for 6H-SiC. We find an almost perfect agreement for the ratio cia of the lattice constants. A comparison of the measured structure factors with those for calculated geometries is given. The atomic relaxations within the unit cell are derived.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 30/09/20 alle ore 09:21:36