High-stability Finite-Length Silicon Nanowires: A Real Space Theoretical Study

2007 ◽  
Author(s):  
E. N. Koukaras ◽  
A. D. Zdetsis ◽  
C. S. Garoufalis ◽  
Theodore E. Simos ◽  
George Maroulis
Keyword(s):  
Finite Length ◽  
Silicon Nanowires ◽  
High Stability ◽  
Theoretical Study ◽  
Real Space

Theoretical study of the chemical gap tuning in silicon nanowires

2007 ◽  
Vol 76 (3) ◽  
Author(s):  
B. Aradi ◽  
L. E. Ramos ◽  
P. Deák ◽  
Th. Köhler ◽  
F. Bechstedt ◽  
...  
Keyword(s):  
Silicon Nanowires ◽  
Theoretical Study

scholarly journals Theoretical Study of Atomic Structure and Elastic Properties of Branched Silicon Nanowires

ACS Nano ◽  
2010 ◽  
Vol 4 (5) ◽  
pp. 2784-2790 ◽  
Author(s):  
Pavel B. Sorokin ◽  
Alexander G. Kvashnin ◽  
Dmitry G. Kvashnin ◽  
Julia A. Filicheva ◽  
Pavel V. Avramov ◽  
...  
Keyword(s):  
Elastic Properties ◽  
Silicon Nanowires ◽  
Atomic Structure ◽  
Theoretical Study

Theoretical Study of the Magnetic Anisotropy of Ni Films on Cu(001)

1997 ◽  
Vol 475 ◽  
Author(s):  
M. Freyss ◽  
R. Lorenz ◽  
H. Dreysse ◽  
J. Hafner
Keyword(s):  
Magnetic Anisotropy ◽  
Theoretical Study ◽  
Magnetic Moments ◽  
Tight Binding ◽  
Real Space ◽  
Spin Orbit Coupling ◽  
Magnetization Direction ◽  
Out Of Plane ◽  
Lmto Method ◽  
The Stability

ABSTRACTThe anisotropy properties of Ni films on Cu(001) are quite unusual compared to other systems: The magnetization direction of Ni is in-plane for a coverage smaller than a critical thickness of 7 monolayers and out-of-plane for a coverage larger than 7 monolayers. As a first step in the study of this unusual behaviour, we report results of ab-initio calculations of the magnetic order of Ni films on a Cu(001) substrate. The magnetic moments are computed by means of the real-space Tight-Binding LMTO method allowing non-collinear magnetic moments and including spin-orbit coupling to account for magnetic anisotropy effects. As the number of Ni layers is increased, we discuss the stability of the system with a magnetization in-plane or out-of-plane.

RADIATION FROM A CYLINDRICAL SOURCE OF FINITE LENGTH

Geophysics ◽  
1953 ◽  
Vol 18 (3) ◽  
pp. 685-696 ◽  
Author(s):  
Patrick Aidan Heelan
Keyword(s):  
Finite Length ◽  
Lateral Pressure ◽  
Theoretical Study ◽  
Maximum Amplitude ◽  
P Wave ◽  
Zonal Distribution ◽  
Tangential Stresses ◽  
Cylindrical Source

This paper presents the results of a theoretical study of radiation from a cylindrical source of finite length, the walls of which are subjected to symmetric lateral and tangential stresses. Three divergent wave systems are generated, P, SV, and SH, and their amplitudes are calculated in terms of the stresses operative on the walls of the “equivalent cavity.” The zonal distribution of amplitude in the three wave systems is calculated, and the total amount of energy in each is estimated. It is shown that under the action of a lateral pressure only, an SV wave of amplitude 1.6 times the maximum amplitude of the associated P‐wave is beamed from the source in directions making angles of 45° with the axis of the source.

scholarly journals Theoretical study of the influence of doped oxygen group elements on the properties of organic semiconductors

2021 ◽  
Author(s):  
Anmin Liu ◽  
Mengfan Gao ◽  
Yan Ma ◽  
Xuefeng Ren ◽  
Liguo Gao ◽  
...  
Keyword(s):  
Organic Semiconductors ◽  
Organic Semiconductor ◽  
High Performance ◽  
High Stability ◽  
Theoretical Study ◽  
Semiconductor Materials ◽  
Organic Semiconductor Materials ◽  
Oxygen Group

Doping oxygen group elements on the properties of organic semiconductor were studied by DFT; the doping of multi-element Te has high stability and mobility; provide guidance for preparing high-performance organic semiconductor materials.

scholarly journals Theoretical study of the electric and the magnetic dipole in UV-Vis and ECD of fluralaner: the folded conformation and the extended conformation

2021 ◽  
Author(s):  
kamal ziadi
Keyword(s):  
Theoretical Study ◽  
Transition Density ◽  
Real Space ◽  
Photon Absorption ◽  
Transition Dipole ◽  
Extended Conformation ◽  
Difference Density ◽  
Charge Difference Density ◽  
Via Hole ◽  
Transition Density Matrix

Abstract In our contribution, we have carried out a theoretical study of the transition characteristics of one-photon absorption (OPA) spectra of the folded conformation and the extended conformation of fluralaner. The electronic transitions in OPA are visualized with charge difference density (CDD) and transition density matrix (TDM) to explain the charge transfer via hole-electron distribution. We also analyze the transition dipole electric/ magnetic moment by using the isosurface (real space) and TDM diagram in order to determine the portions of molecules which have the most contribution in ECD spectra.

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