A novel predictive model for formation enthalpies of Si and Ge hydrides with propane- and butane-like structures

Journal of Computational Chemistry

Volumn 32, Issue 5, 2011, Pages 835-853

  Weng, C ^a   Kouvetakis, J ^a   Chizmeshya, A V G ^a  

^a ARIZONA STATE UNIVERSITY   (United States)

Author keywords

quantum chemistry; semiconductors; Si Ge hydrides; SiGeSn; thermodynamics

Indexed keywords

ADDITIVITY RULES; CBS-QB3; COMPLEMENTARY METAL OXIDE SEMICONDUCTORS; COMPLETE BASIS SETS; ENTHALPIES OF FORMATION; FORMATION ENTHALPY; GROWTH PROCESS; LOW TEMPERATURES; LOW-TEMPERATURE REGIME; METASTABLE MATERIALS; PREDICTIVE MODELS; PREDICTIVE SIMULATIONS; PRESSURE SYNTHESIS; REACTION MECHANISM; REACTION SPECIES; SELECTIVE GROWTH; SEMICONDUCTORS; SI-GE HYDRIDES; SIGESN; SILICON GERMANIUM; TEST SETS; THERMAL BUDGET; THERMOCHEMICAL DATA; THERMODYNAMIC DATA;

ATOMS; BUTANE; CHLORINE; CHLORINE COMPOUNDS; ECOLOGY; ELECTRIC CIRCUIT BREAKERS; ENTHALPY; ETHANE; GERMANIUM; HYDRIDES; METALLIC COMPOUNDS; MOS DEVICES; PROPANE; QUANTUM CHEMISTRY; QUANTUM THEORY; SEMICONDUCTING SILICON; SEMICONDUCTOR GROWTH; SILICON ALLOYS; SYNTHESIS (CHEMICAL); THERMOCHEMISTRY;

SEMICONDUCTING SILICON COMPOUNDS;

BUTANE; GERMANIUM; PROPANE; SILICON;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; THERMODYNAMICS;

BUTANES; GERMANIUM; MOLECULAR STRUCTURE; PROPANE; QUANTUM THEORY; SILICON; THERMODYNAMICS;

EID: 79951982768     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21662     Document Type: Article

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