Catalogo Articoli (Spogli Riviste)

OPAC HELP

Titolo:
Reverse Monte Carlo study of structural relaxation in vitreous selenium
Autore:
Bruning, R; Irving, E; LeBlanc, G;
Indirizzi:
Mt Allison Univ, Dept Phys, Sackville, NB E4L 1E6, Canada Mt Allison UnivSackville NB Canada E4L 1E6 Sackville, NB E4L 1E6, Canada
Titolo Testata:
JOURNAL OF APPLIED PHYSICS
fascicolo: 6, volume: 89, anno: 2001,
pagine: 3215 - 3222
SICI:
0021-8979(20010315)89:6<3215:RMCSOS>2.0.ZU;2-7
Fonte:
ISI
Lingua:
ENG
Soggetto:
MOLECULAR-DYNAMICS SIMULATION; SEMICONDUCTOR-METAL TRANSITION; AMORPHOUS SELENIUM; LIQUID SELENIUM; FLUID SELENIUM; HIGH-TEMPERATURE; REGION;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
--discip_EC--
Citazioni:
23
Recensione:
Indirizzi per estratti:
Indirizzo: Bruning, R Mt Allison Univ, Dept Phys, 67 York St, Sackville, NB E4L 1E6, Canada Mt Allison Univ 67 York St Sackville NB Canada E4L 1E6 , Canada
Citazione:
R. Bruning et al., "Reverse Monte Carlo study of structural relaxation in vitreous selenium", J APPL PHYS, 89(6), 2001, pp. 3215-3222

Abstract

Vitreous selenium is used extensively for light detection. Its photoconducting properties are altered by structural relaxation near room temperature. X-ray diffraction, densiometry, and calorimetry are used to determine the change of the glass state during relaxation. Annealing for 24 h at 300 K increases the density by 0.14% and lowers the enthalpy by 105 J/mol. The structure factor of cast samples was measured before and after annealing, and reverse Monte Carlo models of the structure of selenium glass were generatedto match the data for the quenched and annealed states. Atoms in amorphousselenium are arranged in randomly oriented chains. In the model clusters annealing effects are found by analyzing inter- and intrachain distances, bond angle distributions, and dihedral angle distributions. The average bond length remains unchanged upon annealing, while the distribution of bond lengths becomes narrower by 1.2%. Distances between atoms in adjacent chains decrease by about 0.03%, i.e., the selenium chains move closer together, andthe distribution of interchain distances becomes narrower. Bond angles within the chains are affected slightly. The mean bond angle decreases by 0.016 degrees, which indicates a greater folding of the selenium chains and represents an evolution towards the angles found in crystalline selenium phases. The bond angle distribution for the annealed state is 0.006 degrees narrower. (C) 2001 American Institute of Physics.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 03/07/20 alle ore 22:26:03