Published 1993 | Version v1
Report Open

Thermochemical data for CVD modeling from ab initio calculations

  • 1. Sandia National Labs., Albuquerque, NM (United States)
  • 2. Sandia National Labs., Livermore, CA (United States)

Description

Ab initio electronic-structure calculations are combined with empirical bond-additivity corrections to yield thermochemical properties of gas-phase molecules. A self-consistent set of heats of formation for molecules in the Si-H, Si-H-Cl, Si-H-F, Si-N-H and Si-N-H-F systems is presented, along with preliminary values for some Si-O-C-H species

Availability note (English)

MF available from INIS under the Report Number; Also available from OSTI as DE94005269; NTIS; US Govt. Printing Office Dep.

Files

25036086.pdf

Files (802.8 kB)

Name Size Download all
md5:02b5e2864d796d7c2b3089b590524cb5
802.8 kB Preview Download

Additional details

Publishing Information

Imprint Pagination
9 p.
Report number
SAND--93-3842C

Conference

Title
Fall meeting of the Materials Research Society (MRS).
Dates
29 Nov - 3 Dec 1993.
Place
Boston, MA (United States).

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
25036086
Subject category
S36: MATERIALS SCIENCE;
Resource subtype / Literary indicator
Conference
Descriptors DEI
CHEMICAL VAPOR DEPOSITION; ELECTRONIC STRUCTURE; ENTROPY; FORMATION HEAT; SILICON COMPOUNDS
Descriptors DEC
CHEMICAL COATING; DEPOSITION; ENTHALPY; PHYSICAL PROPERTIES; REACTION HEAT; SURFACE COATING; THERMODYNAMIC PROPERTIES