Structure of the conduction band in diamond and silicon in the semiempirical tight binding method

1970 ◽  
Vol 10 (4) ◽  
pp. 659-659
Author(s):  
A. A. Levin ◽  
A. A. Dyatkina
Keyword(s):  
Conduction Band ◽  
Tight Binding ◽  
Tight Binding Method

Electronic Structure and Surface Properties of SrBi2Ta2O9 and Related Oxides

1997 ◽  
Vol 493 ◽  
Author(s):  
J Robertson ◽  
C W Chen
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Conduction Band ◽  
Tight Binding ◽  
Schottky Barriers ◽  
Band Edge ◽  
Conduction Band Edge ◽  
Edge States ◽  
Tight Binding Method ◽  
S States

ABSTRACTThe electronic structure of SrBi2Ta2O9 and related oxides such as SrBi2Nb2O9, Bi2WO6 and Bi3Ti4O12 have been calculated by the tight-binding method. In each case, the band gap is about 4.1 eV and the band edge states occur on the Bi-O layers and consist of mixed O p/Bi s states at the top of the valence band and Bi p states at the bottom of the conduction band. The main difference between the compounds is that Nb 5d and Ti 4d states in the Nb and Ti compounds lie lower than the Ta 6d states in the conduction band. The surface pinning levels are found to pin Schottky barriers 0.8 eV below the conduction band edge.

Electronic Structure of the Layered Ferroelectric Perovskite SrBi2Ta2O9

1996 ◽  
Vol 433 ◽  
Author(s):  
J Robertson ◽  
C W Chen ◽  
W L Warren
Keyword(s):  
Conduction Band ◽  
Tight Binding ◽  
Valence Band Maximum ◽  
Fatigue Properties ◽  
Layered Perovskite ◽  
Band Maximum ◽  
Tight Binding Method ◽  
Electronic Response ◽  
S States ◽  
Ferroelectric Perovskite

AbstractThe band structure of the Bi layered perovskite SrBi2Ta2O9 (SBT) has been calculated by the tight binding method. We find both the valence and conduction band edges to consist of states primarily derived from the Bi-O layer rather than the perovskite Sr-Ta-O blocks. The valence band maximum arises from 0 p and some Bi s states, while the conduction band minimum consists of Bi p states, with a band gap of 5.1 eV. It is argued that the Bi-O layers largely control the electronic response of SBT while the ferroelectric response originates from the perovskite Sr-Ta-O block. Bi and Ta centered traps are calculated to be shallow, which may account in part for the excellent fatigue properties of SBT.

Development of Divide‐and‐Conquer Density‐Functional Tight‐Binding Method for Theoretical Research on Li‐Ion Battery

2018 ◽  
Vol 19 (4) ◽  
pp. 746-757 ◽  
Author(s):  
Chien‐Pin Chou ◽  
Aditya Wibawa Sakti ◽  
Yoshifumi Nishimura ◽  
Hiromi Nakai
Keyword(s):  
Density Functional ◽  
Tight Binding ◽  
Divide And Conquer ◽  
Theoretical Research ◽  
Li Ion Battery ◽  
Tight Binding Method ◽  
Li Ion

Zero Valley Splitting at Zero Magnetic Field for Strained Si/SiGe Quantum Wells

2007 ◽  
Vol 1017 ◽  
Author(s):  
Seungwon Lee ◽  
Paul von Allmen
Keyword(s):  
Quantum Well ◽  
Quantum Wells ◽  
Conduction Band ◽  
Brillouin Zone ◽  
Tilt Angle ◽  
Tight Binding ◽  
Direct Consequence ◽  
Zero Magnetic Field ◽  
Strained Si ◽  
Valley Splitting

AbstractThe electronic structure for a strained silicon quantum well grown on a tilted SiGe substrate is calculated using an empirical tight-binding method. For a zero substrate tilt angle the two lowest minima of the conduction band define a non-zero valley splitting at the center of the Brillouin zone. A finite tilt angle for the substrate results in displacing the two lowest conduction band minima to finite k0 and -k0 in the Brillouin zone with equal energy. The vanishing of the valley splitting for quantum wells grown on tilted substrates is found to be a direct consequence of the periodicity of the steps at the interfaces between the quantum well and the buffer materials.

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