Order and structural units in simulations of twist grain boundaries in silicon at absolute zero Export

@article{citeulike:3225616, abstract = {In contrast to previous results of simulations of the ground-state structures of high-angle twist grain boundaries (GB's) in silicon at absolute zero, in which amorphous intergranular films were found, recent experimental results imply structural order in some high-angle twist boundaries. With a novel protocol for simulating twist GB's, which allows the number of atoms at the boundary to vary, we have found new, lower energy, ordered structures. We have also found structural units common to many of these boundaries, which is further evidence that these boundary structures are not arbitrary or disordered. We give a detailed exposition of the results for five boundaries and conclude that there is structural order present in all of them.}, author = {von Alfthan, S. and Kaski, K. and Sutton, A. P.}, citeulike-article-id = {3225616}, citeulike-linkout-0 = {http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=PRBMDO000074000013134101000001&idtype=cvips&gifs=yes}, citeulike-linkout-1 = {http://link.aps.org/abstract/PRB/v74/e134101}, citeulike-linkout-2 = {http://dx.doi.org/10.1103/PhysRevB.74.134101}, doi = {10.1103/PhysRevB.74.134101}, journal = {Physical Review B (Condensed Matter and Materials Physics)}, number = {13}, posted-at = {2008-09-11 15:22:11}, priority = {2}, publisher = {APS}, title = {Order and structural units in simulations of twist grain boundaries in silicon at absolute zero}, url = {http://dx.doi.org/10.1103/PhysRevB.74.134101}, volume = {74}, year = {2006} }

TY - JOUR ID - citeulike:3225616 L3 - citeulike-article-id:3225616 N2 - In contrast to previous results of simulations of the ground-state structures of high-angle twist grain boundaries (GB's) in silicon at absolute zero, in which amorphous intergranular films were found, recent experimental results imply structural order in some high-angle twist boundaries. With a novel protocol for simulating twist GB's, which allows the number of atoms at the boundary to vary, we have found new, lower energy, ordered structures. We have also found structural units common to many of these boundaries, which is further evidence that these boundary structures are not arbitrary or disordered. We give a detailed exposition of the results for five boundaries and conclude that there is structural order present in all of them. IS - 13 JF - Physical Review B (Condensed Matter and Materials Physics) TI - Order and structural units in simulations of twist grain boundaries in silicon at absolute zero PB - APS VL - 74 AU - von Alfthan, S AU - Kaski, K AU - Sutton, AP PY - 2006/// UR - http://dx.doi.org/10.1103/PhysRevB.74.134101 ER -