Vibronic interaction in crystals with the Jahn-Teller centers in the elementary energy bands concept

Bercha;  Bercha;  Glukhov;  Sznajder

doi:10.5488/cmp.18.33705

Vibronic interaction in crystals with the Jahn-Teller centers in the elementary energy bands concept

Condensed Matter Physics ◽

10.5488/cmp.18.33705 ◽

2015 ◽

Vol 18 (3) ◽

pp. 33705 ◽

Cited By ~ 1

Author(s):

Bercha ◽

Glukhov ◽

Sznajder

Keyword(s):

Vibronic Interaction ◽

Energy Bands ◽

Jahn Teller

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A Model of Vibronic Interaction in a Quasi-2D System: Cooperative Pseudo-Jahn-Teller Effect on a Silicon Surface with Ba Submonolayers*

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1996.1.1.449 ◽

1996 ◽

Vol 1 (1) ◽

pp. 449-454

Author(s):

V. S. Vikhnin ◽

G. V. Benemanskaya

Keyword(s):

Silicon Surface ◽

Vibronic Interaction ◽

Teller Effect ◽

2D System ◽

Jahn Teller ◽

Jahn Teller Effect

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Vibronic interaction in CO3− photo-detachment: Jahn–Teller effects beyond structural distortion and general formalisms for vibronic Hamiltonians in trigonal symmetries

Physical Chemistry Chemical Physics ◽

10.1039/c9cp01352k ◽

2019 ◽

Vol 21 (17) ◽

pp. 8679-8690 ◽

Cited By ~ 3

Author(s):

Issaka Seidu ◽

Prateek Goel ◽

Xiao-Gang Wang ◽

Bo Chen ◽

Xue-Bin Wang ◽

...

Keyword(s):

Photoelectron Spectrum ◽

Vibronic Interaction ◽

Structural Distortion ◽

Jahn Teller

Expansion formalisms for trigonal Jahn–Teller and pseudo-Jahn–Teller vibronic Hamiltonians are developed and used to study and correctly interpret the photoelectron spectrum of CO3−.

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Vibronic Interaction in Molecules and Ions. II.The first order Jahn-Teller interaction and spin-orbit coupling in doubly degenerate electronic states of C3vtype molecules

Physica Scripta ◽

10.1088/0031-8949/16/5-6/014 ◽

1977 ◽

Vol 16 (5-6) ◽

pp. 258-267 ◽

Cited By ~ 31

Author(s):

F T Chau ◽

L Karlsson

Keyword(s):

Electronic States ◽

Vibronic Interaction ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

First Order ◽

Jahn Teller

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A Model of Vibronic Interaction in a Quasi-2D System: Cooperative Pseudo-Jahn-Teller Effect on a Silicon Surface with Ba Submonolayers*

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1997.201.part_1_2.175 ◽

1997 ◽

Vol 201 (Part_1_2) ◽

pp. 175-180 ◽

Cited By ~ 1

Author(s):

V. S. Vikhnin ◽

G. V. Benemanskaya

Keyword(s):

Silicon Surface ◽

Vibronic Interaction ◽

Teller Effect ◽

2D System ◽

Jahn Teller ◽

Jahn Teller Effect

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Vibronic Interaction in Molecules and Ions. I.The first order Jahn-Teller interaction in doubly degenerate electronic states of C3νtype molecules

Physica Scripta ◽

10.1088/0031-8949/16/5-6/013 ◽

1977 ◽

Vol 16 (5-6) ◽

pp. 248-257 ◽

Cited By ~ 9

Author(s):

F T Chau ◽

L Karlsson

Keyword(s):

Electronic States ◽

Vibronic Interaction ◽

First Order ◽

Jahn Teller

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First-principle calculations of effective mass of silicon crystal with vacancy defects

Materials Science-Poland ◽

10.1515/msp-2016-0128 ◽

2016 ◽

Vol 34 (4) ◽

pp. 916-923 ◽

Cited By ~ 2

Author(s):

Shuying Zhong ◽

Musheng Wu ◽

Xueling Lei

Keyword(s):

Valence Band ◽

Crystalline Silicon ◽

Valence Band Maximum ◽

Energy Bands ◽

Electron Hole ◽

Vacancy Defects ◽

Band Maximum ◽

Effective Masses ◽

Jahn Teller ◽

Gap States

AbstractThe energy band structures and electron (hole) effective masses of perfect crystalline silicon and silicon with various vacancy defects are investigated by using the plane-wave pseudopotential method based on density functional theory. Our results show that the effect of monovacancy and divacancy on the energy band structure of crystalline silicon is primarily reflected in producing the gap states and the local states in valence band maximum. It also causes breaking the symmetry of energy bands resulting from the Jahn-Teller effect, while only producing the gap states for the crystalline silicon with hexavacancy ring. However, vacancy point defects could not essentially affect the effective masses that are derived from the native energy bands of crystalline silicon, except for the production of defect states. Simultaneously, the Jahn-Teller distortions only affect the gap states and the local states in valence band maximum, but do not change the symmetry of conduction band minimum and the nonlocal states in valence band maximum, thus the symmetry of the effective masses. In addition, we study the electron (hole) effective masses for the gap states and the local states in valence band maximum.

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