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The equilibrium shapes of small particles
A305 Surface Soence 143 (1984) 601-608 North-Holland, Amsterdam
601
M U L T I L A Y E R RELAXATION C A L C U L A T I O N S FOR L O W INDEX P L A N E S OF AN fee CRYSTAL T HALICIOt3LU, H O. P A M U K * and ~ ERKOt~ ** Department of Materials Science and Engineering, Stanford Unwerslty, Stanford, California 94305, USA Received 14 December 1983, accepted for pubhcatton 27 March 1984 Using a semi-empirical potential comprising two- and three-body interactions the multdayer relaxation for the low index planes (100), (110), and (111) of an fcc structure has been investigated It has been found that the three-body forces are extremely important in the multdayer relaxation of surfaces The most s~gmficant relaxation takes place for the first interlayer spacing, dl2, which exhibits an expansion or contraction depending on the intensity of three-body interactions Calculations produced results with correct trends which are in good agreement with recent experimental findings
Surface Science 143 (1984) 609-625 North-Holland, A m s t e r d a m
609
T H E E Q U I L I B R I U M S H A P E S OF S M A L L PARTICLES Sheng-Wel WANG, L.M. FALICOV and Alan W. SEARCY Materials and Molecular Research Dwtston, Lawrence Berkeley Laboratory, Unwerslty of Cahforma, Berkeley, Cahfornta 94720, USA Received 1 February 1984, accepted for pubhcatlon 27 March 1984 The e q m h b r m m shapes of small particles of Van der Waals, face-centered-cubic sohds at 0 K are studied theoretically Calculations are presented for a variety of shapes involving {100} and { 111 } type faces, as well as pseudosphencal particles It ~s found that second-neighbor interactions play an important role m determining particle shapes For small enough particles there are some crossovers m the relative stabdlty of various shapes For this type of sohds the pseudosphere is never stable A smtably proportioned cuboctahedron is found to be the equilibrium shape for most particles
626
Surface Soence 143 (1984) 626-638 North-Holland, A m s t e r d a m
M O L E C U L A R B E A M S T U D I E S OF T H E D Y N A M I C S OF ACTIVATED A D S O R P T I O N OF N 2 O N W ( l l 0 ) : D I S S O C I A T I O N T H R E S H O L D A N D N E W BINDING S T A T E S J
LEE and R.J. MADIX
Department of Chemwal Engineering, Stanford Unwerstty, Stanford, Cahforma 94305, USA
and
601
M U L T I L A Y E R RELAXATION C A L C U L A T I O N S FOR L O W INDEX P L A N E S OF AN fee CRYSTAL T HALICIOt3LU, H O. P A M U K * and ~ ERKOt~ ** Department of Materials Science and Engineering, Stanford Unwerslty, Stanford, California 94305, USA Received 14 December 1983, accepted for pubhcatton 27 March 1984 Using a semi-empirical potential comprising two- and three-body interactions the multdayer relaxation for the low index planes (100), (110), and (111) of an fcc structure has been investigated It has been found that the three-body forces are extremely important in the multdayer relaxation of surfaces The most s~gmficant relaxation takes place for the first interlayer spacing, dl2, which exhibits an expansion or contraction depending on the intensity of three-body interactions Calculations produced results with correct trends which are in good agreement with recent experimental findings
Surface Science 143 (1984) 609-625 North-Holland, A m s t e r d a m
609
T H E E Q U I L I B R I U M S H A P E S OF S M A L L PARTICLES Sheng-Wel WANG, L.M. FALICOV and Alan W. SEARCY Materials and Molecular Research Dwtston, Lawrence Berkeley Laboratory, Unwerslty of Cahforma, Berkeley, Cahfornta 94720, USA Received 1 February 1984, accepted for pubhcatlon 27 March 1984 The e q m h b r m m shapes of small particles of Van der Waals, face-centered-cubic sohds at 0 K are studied theoretically Calculations are presented for a variety of shapes involving {100} and { 111 } type faces, as well as pseudosphencal particles It ~s found that second-neighbor interactions play an important role m determining particle shapes For small enough particles there are some crossovers m the relative stabdlty of various shapes For this type of sohds the pseudosphere is never stable A smtably proportioned cuboctahedron is found to be the equilibrium shape for most particles
626
Surface Soence 143 (1984) 626-638 North-Holland, A m s t e r d a m
M O L E C U L A R B E A M S T U D I E S OF T H E D Y N A M I C S OF ACTIVATED A D S O R P T I O N OF N 2 O N W ( l l 0 ) : D I S S O C I A T I O N T H R E S H O L D A N D N E W BINDING S T A T E S J
LEE and R.J. MADIX
Department of Chemwal Engineering, Stanford Unwerstty, Stanford, Cahforma 94305, USA
and