Anomalously Large Thermal Expansion at the (0001) Surface of Beryllium without Observable Interlayer Anharmonicity
نویسندگان
چکیده
K. Pohl,1,* J.-H. Cho,2, K. Terakura,2 M. Scheffler,3 and E. W. Plummer1 1Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6057 and Department of Physics and Astronomy, The University of Tennessee, Knoxville, Tennessee 37996-1200 2JRCAT, National Institute of Advanced Interdisciplinary Research, 1-1-4 Higashi, Tsukuba, Ibaraki 305, Japan 3Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin-Dahlem, Germany (Received 24 November 1997)
منابع مشابه
113 Surface Thermal Expansion
The creation of a surface breaks the translational symmetry of the bulk with the electrons redistributing to lower their energy, resulting in a new lattice structure. Surface relaxation and reconstruction have been studied for years, and it is generally assumed that theory and experiment are in fairly good agreement for the ground state properties at a metal surface. There is a conceptual pictu...
متن کاملStructure of the a-Al2O3„0001... surface from low-energy electron diffraction: Al termination and evidence for anomalously large thermal vibrations
We use dynamical low-energy electron diffraction ~LEED! to determine the surface structure of a-Al2O3(0001). Sapphire surfaces are prepared in three different ways, and the diffraction results are analyzed using an exhaustive search of possible models. For all sample processing conditions, the clearly favored structure has a single Al layer termination and a large first interlayer contraction. ...
متن کاملAnharmonicity and quantum effects in thermal expansion of an Invar alloy.
We have investigated the anharmonicity and quantum effects in the Invar alloy Fe(64.6)Ni(35.4) that shows anomalously small thermal expansion. We have performed Fe and Ni K-edge extended x-ray-absorption fine-structure spectroscopic measurements and the computational simulations based on the path-integral effective-classical-potential theory. The first nearest-neighbor (NN) shells around Fe sho...
متن کاملQuantum Effect and Anharmonicity in an Invar Alloy Studied by EXAFS Spectroscopy
We have investigated the vibrational anharmonicity and quantum effects in the Invar alloy Fe64.6Ni35.4 which shows anomalously small thermal expansion. We have performed Fe and Ni K-edge EXAFS spectroscopic measurements and computational simulations based on the path-integral effective-classical-potential theory. The first nearest-neighbor (NN) shells around Fe showed almost no thermal expansio...
متن کاملA Model for the Thermal Expansion of Ag(111) and other Metal Surfaces
We develop a model to study the thermal expansion of surfaces, wherein phonon frequencies are obtained from ab initio total energy calculations. Anharmonic effects are treated exactly in the direction normal to the surface, and within a quasiharmonic approximation in the plane of the surface. We apply this model to the Ag(111) and Al(111) surfaces, and find that our calculations reproduce the e...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 1998