## Electronic structure and properties |

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Page 4

Briefly, in this case one uses the theorem that for a nondegenerate

the particle density is the fundamental variable of the system, and the exchange-

correlation functional is approximated using the results of many-body theory for ...

Briefly, in this case one uses the theorem that for a nondegenerate

**ground state**the particle density is the fundamental variable of the system, and the exchange-

correlation functional is approximated using the results of many-body theory for ...

Page 15

Hence, theoretical energy band studies of

solids have used computational schemes that of necessity introduced a variety of

well-known approximations not inherent in the LDF formalism. These additional ...

Hence, theoretical energy band studies of

**ground**-**state**electronic properties ofsolids have used computational schemes that of necessity introduced a variety of

well-known approximations not inherent in the LDF formalism. These additional ...

Page 135

Since Sb and Te occupy groups V and VI, respectively, of the periodic table, the

Sb (or Te) binary compounds leave the Sm ion in the + 3 (or +2) ionization state.

The

Since Sb and Te occupy groups V and VI, respectively, of the periodic table, the

Sb (or Te) binary compounds leave the Sm ion in the + 3 (or +2) ionization state.

The

**ground**-**state**f configuration is then 4f5 in SmSb and 4f 6 in SmTe.### What people are saying - Write a review

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### Contents

Illustrative Examples | 25 |

Photoelectron Spectroscopy as an Electronic | 99 |

ValenceElectron Studies XPS | 125 |

Copyright | |

13 other sections not shown

### Other editions - View all

Electronic Structure and Properties: Treatise on Materials ..., Volume 21 Frank Y. Fradin Limited preview - 2016 |

### Common terms and phrases

alloys anomalies approximation atom band structure binding energy bonding Brillouin zone bulk calculations charge density compounds conduction electrons contribution correlation Coulomb crystal curve d-band deformation potential e/at effect elastic constants electrical resistivity electron density electron gas electron-phonon interaction electronic structure energy band equation experiment experimental Fermi energy Fermi level Fermi surface ferromagnetic Freeman Friedel Friedel oscillations ground-state hybridization hydrogen impurity increase interstitial ions jellium jellium model Jena lattice Lett magnetic materials measured method moduli monovacancy muffin-tin muon obtained orbitals Papaconstantopoulos parameter peak phase phonon photoemission Phys point defects polarization positron properties proton pseudopotential rare-earth region sample scattering self-consistent shear shift shown in Fig shows Solid State Commun spectra Spectroscopy spin density strain Superconductivity temperature dependence theoretical theory tion transition metals transition-metal vacancy valence valence-band values variation velocity volume Wang wave functions York