Thermal roughening of (001) surfaces

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Within the framework of a solid-on-solid model that incorporates nearest- (epsilon) and next-nearest-neighbor (delta) interactions we have determined the free energy of the high-symmetry steps on a (001) surface of a cubic crystal. We have found a simple expression that allows one to determine the thermal roughening temperature TR of a (001) surface (2e¿(epsilon/2+delta)/kbTR¿e¿(epsilon+2delta)/kbTR+2e¿(epsilon+delta)/kbTR=1). In a more refined analysis we have explicitly included step-edge overhangs. This results in a slightly lower thermal roughening temperature. Our results are also applicable to the two-dimensional Ising spin system.
Original languageUndefined
Pages (from-to)-
Number of pages113412
JournalPhysical review B: Condensed matter and materials physics
Issue number11
Publication statusPublished - 2005


  • METIS-227132
  • IR-53850

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