Thermal roughening of {001} surfaces


Zandvliet, Harold J.W. and Dijk, Frank R. van and Poelsema, Bene (2005) Thermal roughening of {001} surfaces. Physical Review B: Condensed matter and materials physics, 72 (11). p. 113412. ISSN 1098-0121

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Abstract: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.
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Copyright:© 2005 The American Physical Society
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