scholarly journals Energy-level splitting of ground-states and Jahn-Teller effects in ruby crystal

2006 ◽  
Vol 55 (11) ◽  
pp. 6055
Author(s):  
Yin Chun-Hao ◽  
Zhang Lei ◽  
Zhao Ji-Ping ◽  
Jiao Yang ◽  
Song Ning ◽  
...  
Keyword(s):  
Energy Level ◽  
Ground States ◽  
Level Splitting ◽  
Jahn Teller

Large- Scale ab initio Simulations of Fe-doped SrTiO3 Perovskites

2002 ◽  
Vol 731 ◽  
Author(s):  
R.A. Evarestov ◽  
R.I. Eglitis ◽  
S. Piskunov ◽  
E. A. Kotomin ◽  
G. Borstel
Keyword(s):  
Energy Level ◽  
Ab Initio ◽  
High Spin ◽  
Spin State ◽  
Large Scale ◽  
Covalent Bonding ◽  
Hartree Fock ◽  
Ab Initio Simulations ◽  
Displacement Mode ◽  
Jahn Teller

AbstractUsing the Unrestricted Hartree-Fock method and supercells containing up to 160 atoms, we calculated the energy level positions in the gap and atomic geometry for the Fe4+ impurity substituting for a host Ti atom in SrTiO3. In agreement with experiment, the high spin (S=2) state is much lower in energy than the zero-spin state. The energy level positions strongly depend on the asymmetric displacement mode of the six nearest O ions which is a combination of the Jahn-Teller and breathing modes. A considerable covalent bonding between the Fe ion and four nearest O ions takes place.

Deciphering the Microstructure and Energy-Level Splitting of Tm3+-Doped Yttrium Aluminum Garnet

2018 ◽  
Vol 58 (2) ◽  
pp. 1058-1066 ◽  
Author(s):  
Meng Ju ◽  
MingMin Zhong ◽  
Cheng Lu ◽  
Yau-yuen Yeung
Keyword(s):  
Energy Level ◽  
Yttrium Aluminum Garnet ◽  
Level Splitting ◽  
Yttrium Aluminum

Effect of a Jahn‐Teller ion on the ground states of Fe2+and Ni2+ions in spinel ferrites

1982 ◽  
Vol 53 (3) ◽  
pp. 2107-2109 ◽  
Author(s):  
C. M. Srivastava ◽  
M. J. Patni ◽  
T. T. Srinivasan
Keyword(s):  
Ground States ◽  
Spinel Ferrites ◽  
Jahn Teller

A Lecture Demonstration of Energy Level Splitting in the Hydrogen Molecule Based on Coupled Electric Resonant Circuits

1979 ◽  
Vol 16 (1) ◽  
pp. 17-25
Author(s):  
S. Middelhoek ◽  
W. S. M. Beke
Keyword(s):  
Hydrogen Atom ◽  
Energy Level ◽  
Differential Equations ◽  
Hydrogen Molecule ◽  
Mutual Inductance ◽  
Electrical Analogue ◽  
Level Splitting ◽  
Lecture Demonstration

A description is given of a lecture demonstration of energy level splitting in the hydrogen molecule. The demonstration is based on the electrical analogue of two coupled resonant circuits. Coupling occurs by mutual inductance. The relevant differential equations describing the hydrogen atom and the tuned circuits are also presented.

Energy level splitting in the study of H2Ag(110) surface selective adsorption

1985 ◽  
Vol 151 (2-3) ◽  
pp. L145-L152 ◽  
Author(s):  
M. Chiesa ◽  
L. Mattera ◽  
R. Musenich ◽  
C. Salvo
Keyword(s):  
Energy Level ◽  
Selective Adsorption ◽  
Level Splitting

Molecular Orbital Calculations on Penta Coordinated Ferric Dithiocarbamates Exhibiting Intermediate and Low Spin Ground States

1979 ◽  
Vol 34 (12) ◽  
pp. 1500-1506
Author(s):  
P. Ganguli ◽  
K. M. Hasselbach
Keyword(s):  
Energy Level ◽  
Molecular Orbital ◽  
Ground State ◽  
Ground States ◽  
Orbital Energy ◽  
Iron Nucleus ◽  
Molecular Orbital Calculations ◽  
Valence Shell ◽  
Molecular Orbital Energy ◽  
Orbital Energy Level

Abstract SCCEHMO calculations show that the ground state in [Fe(dtc)2X], X = Cl, Br, I and NCS, is 4A2: (x2 - y2)2(xz)1(yz)1(z2)1(xy)0 and for X = NO is 2A1: (xz)2(yz)2(x2-y2)2(z2)1(xy)0. The calculated quadrupole splittings of iron and iodine included the valence shell, overlap charge, and the ligand and lattice contributions to the EFG tensor at the nuclei. In addition, the elec-tron densities at the iron nucleus are compared with the measured isomer shifts. The spin densi-ties may be interpreted in terms of a π-delocalization. The results are discussed on the basis of the molecular orbital energy level schemes.

Jahn—Teller coupling in the [Xtilde] 2E ground states of the CF3O and CF3S radicals

1999 ◽  
Vol 97 (1-2) ◽  
pp. 239-254 ◽  
Author(s):  
TIMOTHY A. BARCKHOLTZ ◽  
MIN-CHIEH YANG ◽  
TERRY A. MILLER
Keyword(s):  
Ground States ◽  
Jahn Teller
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