A first-principles approach to calculating the elastic stiffness coefficients at finite temperatures was proposed. It is based on the assumption that the temperature dependence of elastic stiffness coefficients mainly results from volume change as a function of temperature; it combines the first-principles calculations of elastic constants at 0 K and the first-principles phonon theory of therma...

nial tumors and are histologically benign (1). A case of the transformation of an epidermoid cyst into a malignant squamous cell carcinoma has seldom been reported (2-7). The malignant transformation may have occurred from pre-existing epidermoid cysts or after the incomplete excision of an epidermoid cyst (5). The treatment of the malignant transformation of an epidermoid cyst varies from surg...

Well-defined Pd chains were assembled from single atoms on a NiAl(110) surface with the tip of a scanning tunneling microscope. The electronic properties of the chains were determined by spatially resolved conductance measurements, revealing a series of quantum well states with parabolic dispersion. The particle-in-a-box states in Pd chains show higher onset energy and larger effective mass tha...

Line defects of a thin alumina film on NiAl(110) have been studied on the atomic level with scanning tunneling microscopy at 4 K. While boundaries between two reflection domains do not expose a characteristic structure, antiphase domain boundaries are well ordered. The latter boundaries result from the insertion of a row of O atoms, as atomically resolved images of the topmost oxygen layer show...

Single 4,7,12,15-tetrakis[2.2]paracyclophane were deposited on NiAl(110) surface at 11 K. Two adsorbed species with large and small conductivities were detected by the scanning tunneling microscope (STM). Their vibrational properties were investigated by inelastic electron tunneling spectroscopy (IETS) with the STM. Five vibrational modes were observed for the species with the larger conductivi...

For the example of the B2 CoAl(100) surface, we demonstrate that even slight deviations from an ordered alloy's ideal stoichiometry in a subsurface region or in the bulk can drastically affect its surface composition. By experimental surface analysis and first-principles calculations, we show that Co antisite atoms segregate to the very surface, driven by the same strong interactions which enfo...

The influence of relative electron tunneling rates on electron transport in a double-barrier single-molecule junction is studied. The junction is defined by positioning a scanning tunneling microscope tip above a copper phthalocyanine molecule adsorbed on a thin oxide film grown on the NiAl(110) surface. By tuning the tip-molecule separation, the ratio of tunneling rates through the two barrier...