First-Principle Study of Energy-Band Control by Cross-Sectional Morphology in [110]-Si Nanowires

2017 ◽  
pp. 701-710
Author(s):  
Shinya Kyogoku ◽  
Jun-Ichi Iwata ◽  
Atsushi Oshiyama
Keyword(s):  
Energy Band ◽  
First Principle ◽  
Si Nanowires ◽  
Cross Sectional

Electronic Structure Analyses of BN in Cubic and Hexagonal Phases

2011 ◽  
Vol 268-270 ◽  
pp. 1-3
Author(s):  
Ting Zhang ◽  
Ming He ◽  
Tao Chen ◽  
Guang Chang Wang
Keyword(s):  
Electronic Structure ◽  
Dielectric Properties ◽  
Plane Wave ◽  
Band Gap ◽  
Energy Band ◽  
First Principle ◽  
Energy Band Gap ◽  
First Principle Calculations ◽  
Two Phases ◽  
Valence Band Width

First principle calculations are performed on the structure, energy band gap, and dielectric properties of wurtzite and hexagonal BN by using a plane-wave pseudopotential method. It is found thath-BN has much narrower VB (valence band ) width and much sharper band edge than those ofw-BN. And the N 2sstates of the two phases of BN are dominant below 30.03 eV and the N 2pstates are dominant in the range between −20.62 and 20.32 eV.

Origin of the High Thermoelectric Performance in Si Nanowires: A First-Principle Study

2009 ◽  
Vol 113 (31) ◽  
pp. 14001-14005 ◽  
Author(s):  
Xin Chen ◽  
Yanchao Wang ◽  
Yanming Ma ◽  
Tian Cui ◽  
Guangtian Zou
Keyword(s):  
Thermoelectric Performance ◽  
First Principle ◽  
Si Nanowires

Structural evolution and carrier scattering of Si nanowires as a function of oxidation time

2015 ◽  
Vol 3 (9) ◽  
pp. 2123-2131 ◽  
Author(s):  
Jung min Bae ◽  
Woo-Jung Lee ◽  
Jin won Ma ◽  
Jung hun Kim ◽  
Seung hoon Oh ◽  
...  
Keyword(s):  
Morphological Characteristics ◽  
Structural Evolution ◽  
Oxidation Time ◽  
Si Nanowires ◽  
Cross Sectional ◽  
Carrier Scattering ◽  
The Cross ◽  
Sectional Shape

We investigated the morphological characteristics of the cross-sectional shape of Si-core nanowires (NWs) as a function of oxidation time.

Free-Electron Interlayer States in Pure and Li-Intercalated Graphite

1982 ◽  
Vol 20 ◽  
Author(s):  
M. Posternak ◽  
A. Baldereschi ◽  
A.J. Freeman ◽  
E. Wimmer ◽  
M. Weinert
Keyword(s):  
Fermi Energy ◽  
Free Electron ◽  
Energy Band ◽  
Lower Energy ◽  
First Principle ◽  
Electron States ◽  
Intercalated Graphite

ABSTRACTFirst–principle SCF–FLAPW calculations prove the existence in graphite of a new kind of electron states. They are interlayer states, resulting from the bonding combination of states bound to single graphite layers, and give rise to a still undetected energy band just above the Fermi energy. This band also occurs at slightly lower energy in Li intercalated graphite, and has been incorrectly interpreted as arising mainly from Li 2s orbitals.

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