TY - JOUR KW - paper AU - W Welnic AU - Silvana Botti AU - Lucia Reining AU - Matthias Wuttig AB - Several chalcogenide alloys exhibit a pronounced contrast between the optical absorption in the metastable rocksalt and in the amorphous phase. This phenomenon is the basis for their application in optical data storage. Here we present ab initio calculations of the optical properties of GeTe and Ge1Sb2Te4 in the two phases. The analysis of our computations and experimental data reveal the correlation between local structural changes and optical properties as well as the origin of the optical contrast in these materials. We find that the change in optical properties cannot be attributed to a smearing of transition energies as commonly assumed for amorphous semiconductors: the optical contrast between the two phases can only be explained by significant changes in the transition matrix elements. BT - Phys. Rev. Lett. CY - ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA DA - JUN 8 DO - 10.1103/PhysRevLett.98.236403 M1 - 23 N2 - Several chalcogenide alloys exhibit a pronounced contrast between the optical absorption in the metastable rocksalt and in the amorphous phase. This phenomenon is the basis for their application in optical data storage. Here we present ab initio calculations of the optical properties of GeTe and Ge1Sb2Te4 in the two phases. The analysis of our computations and experimental data reveal the correlation between local structural changes and optical properties as well as the origin of the optical contrast in these materials. We find that the change in optical properties cannot be attributed to a smearing of transition energies as commonly assumed for amorphous semiconductors: the optical contrast between the two phases can only be explained by significant changes in the transition matrix elements. PB - AMERICAN PHYSICAL SOC PP - ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA PY - 2007 EP - 236403 T2 - Phys. Rev. Lett. TI - Origin of the optical contrast in phase-change materials UR - http://dx.doi.org/10.1103/PhysRevLett.98.236403 VL - 98 ER -