A complementary, classical picture of insulators depicts electrons as occupying localized and symmetric Wannier orbitals that resemble atomic orbitals. We report the theoretical discovery of band insulators for which electron filling forbids such an atomic description. We refer to them as filling-enforced...
Atomic Orbital Filling Atomic Orbital Filling Order Order and Electron and Electron Configurations Configurations There are 3 main rules for filling There are 3 main rules for filling atomic orbitals atomic orbitals 1. 1. Aufbau principle Aufbau principle -- Electrons get filled in Electrons get fille...
The Jahn-Teller model with E direct X 尾 electron-phonon coupling and local (Hubbard-like) Coulomb interaction is considered to describe a lattice system with two orbitals per site at half filling. Starting from a state with one electron per site, we follow the tunneling of the electrons and...
FillingRulesforElectronOrbitals AufbauPrinciple:Electronsareaddedoneatatimetothelowest energyorbitalsavailableuntilalltheelectronsoftheatom havebeenaccountedfor. PauliExclusionPrinciple:Anorbitalcanholdamaximumoftwoelectrons. Tooccupythesameorbital,twoelectronsmustspininopposite directions. Hund’sRule:Electronsoccupy...
By the same token, it seems that 32-electron systems should be stable by virtue of their additional 14 electrons (the capacity of the f orbitals). Although 4f shells of lanthanides are too compact to allow the construction of 32-electron systems, the more diffuse 5f shells of the actinides...
Periodic Table – Filling Order ElectronConfigurationsandthePeriodicTable OrbitalsBeingFilled Periods 111s222s33s44s55s66sLa77sAc Groups 3d4d5d6d 8345671s 2p3p4p5p6p 4f Lanthanideseries 5f Actinideseries ElectronFillinginPeriodicTables s 1 p 2 3 d 4 5 6 * 7 W f *W ...
The overall reduction from nitro to nitroso requires the addition of two protons and two electrons. While the electrons must come from the FMN cofactor of NTR and at least one of the protons must come from solution, the source of the other proton may be either the FMN or the solution. Hy...
While band insulators are usually described in wavevector space in terms of fully filled bands, they are sometimes also described in terms of a complementary Wannier picture in which electrons occupy localized, atom-like orbitals. Under what conditions does the latter picture break down? The presenc...
We can find a unique configuration of electrons with the minimum Coulomb energy in the Landau orbitals. Therein the electron (or hole) pairs placed in the first and second nearest Landau orbitals can transfer to all the empty (or filled) orbitals at ν0=8/3, 14/5, 7/3, 11/5, and ...
This indicates that there is a charge transfer occurring at the interface, resulting in an interface dipole whose direction depends on the 3d orbital filling. We found that electrons move from gold to CoPc to fill up the empty cobalt 3d orbitals, while for CuPc, electrons depletion appears to...