Atomic effective pseudopotentials for semiconductors
نویسندگان
چکیده
منابع مشابه
Screening of Impurity Pseudopotentials in Polar Semiconductors
für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...
متن کاملAtomic structure of pressure-induced amorphous semiconductors
The paper will briefly review and discuss results of our investigations on the atomic correlations in amorphous Zn-Sb, GaSb, GaSb-Ge and Al-Ge alloys. These semiconductor alloys were prepared by solid state reactions in the course of heating the quenched highpressure phases. Structure of the final products was studied by neutron diffraction for the Al-Ge, GaSb and GaSb-Ge alloys and by transmis...
متن کاملPseudopotentials for correlated-electron calculations
We describe a semiempirical method for constructing pseudopotentials for use in correlated wave-function calculations which involves using a combination of calculated and experimental quantities. The pseudopotentials are generated from single-valence-electron configurations and satisfy a norm-conservation condition. Core relaxation and core-polarization effects are taken into account. Detailed ...
متن کاملEffective atomic orbitals for fuzzy atoms.
The method of extracting effective atomic orbitals and effective minimal basis sets from molecular wave function characterizing the state of an atom in a molecule is developed in the framework of the "fuzzy" atoms. In all cases studied, there were as many effective orbitals that have considerable occupation numbers as orbitals in the classical minimal basis. That is considered to be of high con...
متن کاملEffective Parameters in Contact Mechanic for Micro/nano Particle Manipulation Based on Atomic Force Microscopy
The effect of geometry and material of the Micro/Nano particle on contact mechanic for manipulation was studied in this work based on atomic force microscopy. Hertz contact model simulation for EpH biological micro particle with spherical, cylindrical, and circular crowned roller shape was used to investigate the effect of geometry on contact simulation process in manipulation. Then, to val...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review B
سال: 2012
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.86.115332