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Search by Research Topic Density Functional Theory Pseudopotential Theory Many-Electron and Exchange Correlation Effects Quantum Structural Diagrams and Orbital Radii Order-Disorder Transitions Phonons and Exitons Quantum Nanostructures: Boxes, Films, Wires Superlattices and Quantum Wells Physics of 2D Epitaxial Stability Electron Density Distributions in Solids Development of Theoretical and Computational Techniques --- Total Energy, Eigenvalues and Forces in Solids --- Statistical Mechanics of Alloys --- Electronic Structure of Random Networks --- Green's Functions for Defects in Solids Electronic Structure of Specific Bulk Solids --- Binary Semiconductors and Insulators --- Ternary Chalcopyrites --- Metals and Intermetallics --- Layered Transition Metal Compounds --- Filled Tetrahedral Structures --- Pseudo One-Dimensional Chains --- Two-Dimensional and Graphitic Structures --- Magnetic Semiconductors --- Molecular Solids --- Nitrides and the Zincblende/Wurzite System --- Oxides --- Predicting New Materials Electronic Structure of Surfaces and Interfaces --- Clean Semiconductor Surfaces and Surface Steps --- Metal-Semiconductor Interfaces and Schottky Barriers --- Semiconductor-Semiconductor Heterojunction Band Offsets Electronic Structure of Defects and Impurities --- Main-Group Defects and Impurities in Semiconductors --- Transition-Metal Impurities in Semiconductors --- Impurity MagnetismElectronic Structure of Alloys --- Density of States in Transition Metal Alloys --- Optical Properties and Bowing in Semiconductor Alloys --- Short Range Order --- Atomic-Scale Structure and Relaxation in Alloys --- Spontaneous Ordering in Semiconductor Alloys Statistical Mechanics and Thermodynamics of Alloys --- Transition Metal Alloys --- Isovalent Semiconductor Alloys --- Ternary and Non-Isovalent Semiconductor Alloys --- Structural Stability and Interfacial Roughness of Superlattices --- Light Metal Alloys --- Oxides High-Pressure Effects

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