2005
DOI: 10.1016/j.susc.2005.06.036
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Energy scaling and surface patterning of halogen-terminated Si(001) surfaces

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Cited by 10 publications
(6 citation statements)
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“…[10][11][12][13][14][15][16][17][18][19][20][21] Knowledge of the ground states and the temperature ͑T͒ versus composition ͑c͒ phase diagrams are of crucial importance in materials design. Unfortunately, low-temperature phase transitions are often difficult to observe experimentally due to slow kinetics.…”
Section: Introductionmentioning
confidence: 99%
“…[10][11][12][13][14][15][16][17][18][19][20][21] Knowledge of the ground states and the temperature ͑T͒ versus composition ͑c͒ phase diagrams are of crucial importance in materials design. Unfortunately, low-temperature phase transitions are often difficult to observe experimentally due to slow kinetics.…”
Section: Introductionmentioning
confidence: 99%
“…Energies of surface patterns for light halogens (F, Cl, and Br) on Si(001) surface were already calculated from the first principles, and corresponding nearest-neighbor halogen-halogen interactions for those halogens were determined by fitting the energies [15]. We found, that those interactions increase with the size of halogen atoms: they scale as n 2 , where n is the period of the halogen in Mendeleyev Periodic Table. Using this scaling, we estimated interaction for iodine on Si(001) surface (later we calculated energies of iodine surface patterns from the first principles and confirmed this estimation), compared this interaction with the energies of step defects on silicon surface, and predicted that iodine coverage of Si(001) should result in a new type of linear surface defect: the vacancy line defect [16]. This predicted defect is now observed experimentally [17].…”
Section: Surface Patterningmentioning
confidence: 71%
“…Mathematical models [1,2], databases [3][4][5], and machine learning techniques [6][7][8][9][10] are extensively used for materials discovery [11][12][13][14]. Known analytical approximations and predictive estimates [15][16][17][18][19][20] greatly simplify those efforts, especially for magnetic materials [21][22][23][24][25].…”
Section: Introductionmentioning
confidence: 99%