Published 1989 | Version v1
Book Metadata-only

Properties of liquid As

Creators

  • 1. Dept.. of Physics, State Univ. of New York at Stony Brook, Stony Brook, NY (USA)
  • 2. Scuola Internazionale Superiore di Studi Avanzati, Strada Costiera 11, Trieste 34014 (Italy)

Description

The structural and electronic properties of liquid arsenic are calculated using density-functional quantum theory to calculate forces and trajectories of atoms. A semiconducting gap of 0.4 eV is found, and a coordination number of 2.8, close to the experimental values of 0.5 eV and 3. The authors' results support the existence of a Peirls-type distortion in liquid arsenic

Additional details

Additional titles

Subtitle (English)
A first principles calculation

Publishing Information

Publisher
Materials Research Society.
Imprint Place
Pittsburgh, PA (USA)
ISBN
1-55899-014-3
Imprint Title
Atomic scale calculations in materials science
Imprint Pagination
471 p.
Series
Materials Research Society symposium proceedings. Volume 141.
Journal Page Range
p. 229-234.

Conference

Title
Symposium on atomic scale calculations in materials science.
Dates
28-30 Nov 1988.
Place
Boston, MA (USA).

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
21057151
Subject category
S36: MATERIALS SCIENCE; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Resource subtype / Literary indicator
Conference
Descriptors DEI
ALGORITHMS; ARSENIC; ELECTRONIC STRUCTURE; LIQUIDS; QUANTUM FIELD THEORY; QUANTUM MECHANICS; STRUCTURAL CHEMICAL ANALYSIS
Descriptors DEC
ELEMENTS; FIELD THEORIES; FLUIDS; MECHANICS; SEMIMETALS

Optional Information

Secondary number(s)
CONF-8811147--.