Non-equilibrium molecular orbital calculations of Si/SiO2 interfaces

Thin Solid Films

Volumn 369, Issue 1, 2000, Pages 285-288

  Schulte, J ^a   Ushio, J ^a   Maruizumi, T ^a  

^a HITACHI LTD   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; HETEROJUNCTIONS; INTERFACES (MATERIALS); MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; NITRIDING; PROBABILITY DISTRIBUTIONS; SEMICONDUCTING SILICON; SILICA; SIMULATED ANNEALING; WATER;

MOLECULAR ORBITAL CALCULATIONS;

SEMICONDUCTING FILMS;

EID: 0034230254     PISSN: 00406090     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-6090(00)00880-4     Document Type: Article

References (9)

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6. MOPAC Ver. 6, J.J.P. Stewart, QCPE Bull 9 (1989) 10; revised as Ver 6.01 for HITAC and Unix machines by T. Hirano, University of Tokyo, JCPE Newsletter 1 (1989) 10; revised as Ver. 6.02 by T.M., J.U. and M.M.; revised as Ver. 6.03 for optimized orbital calculations and non-equilibrium geometry optimization by J.S. and J.U.
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