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5 papers · 2 filters
Linear Augmented Slater-Type Orbital Method for Free Standing Clusters
K. S. Kang, J. W. Davenport, James Glimm +2
We have developed a Scalable Linear Augmented Slater-Type Orbital (LASTO) method for electronic-structure calculations on free-standing atomic clusters. As with other linear method…
The effect of local dipole moments on the structure and lattice dynamics of K0.98Li0.02TaO3
Jinsheng Wen, Guangyong Xu, C. Stock +5
We present high energy x-ray (67 keV) and neutron scattering measurements on a single crystal of KLiTaO for which the Li content () is less than $x_c = 0.02…
Response of polar nanoregions in 68%Pb(Mg1/3Nb2/3)O3-32%PbTiO3 to a [001] electric field
Jinsheng Wen, Guangyong Xu, C. Stock +1
We report neutron diffuse scattering measurements on a single crystal of 68%Pb(Mg1/3Nb2/3)O3-32%PbTiO3. Strong diffuse scattering is observed at low temperatures. An external field…
Spin-orbit interaction effect in the electronic structure of \BiTe \ observed by angle-resolved photoemission spectroscopy
Han-Jin Noh, H. Koh, S. -J. Oh +8
The electronic structure of -type doped \BiTe is studied by angle resolved photoemission spectroscopy (ARPES) to experimentally confirm the mechanism responsible for the high th…
Lattice Dynamics and Thermal Equation of State of Platinum
Tao Sun, Koichiro Umemoto, Zhongqing Wu +2
Platinum is widely used as a pressure calibration standard. However, the established thermal EOS has uncertainties, especially in the high - range. We use density functional…