Electronic Structure of Trigonal and Amorphous Se and Te and the Non-Empirical Calculation of Structural Properties

1979 ◽  
pp. 27-30 ◽  
Author(s):  
David W. Bullett
Keyword(s):  
Electronic Structure ◽  
Structural Properties

Electronic structure of CsPbBr3−xClx perovskites: synthesis, experimental characterization, and DFT simulations

2019 ◽  
Vol 21 (35) ◽  
pp. 18930-18938 ◽  
Author(s):  
Tatiana G. Liashenko ◽  
Evgeniia D. Cherotchenko ◽  
Anatoly P. Pushkarev ◽  
Vidas Pakštas ◽  
Arnas Naujokaitis ◽  
...  
Keyword(s):  
Thin Films ◽  
Electronic Structure ◽  
Anion Exchange ◽  
Structural Properties ◽  
Chemical Vapor ◽  
Experimental Characterization ◽  
Dft Simulations ◽  
Halide Perovskite

Cesium lead mixed-halide perovskite thin films were fabricated by using a chemical vapor anion exchange procedure. Optical and structural properties of the materials obtained were studied comprehensively.

How Many Fe layers Cause TMR?

2006 ◽  
Vol 941 ◽  
Author(s):  
Christian Heiliger ◽  
Peter Zahn ◽  
Ingrid Mertig
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Structural Properties ◽  
Spin Polarization ◽  
Tunnel Junction ◽  
Tunnel Junctions ◽  
Tunneling Current ◽  
Electronic Structure Calculations ◽  
High Spin Polarization ◽  
Structure Calculations

ABSTRACTThe influence of the structural properties of the leads of planar tunnel junctions on the tunneling current is investigated by means of ab initio electronic structure calculations. In particular, a NM/Fe/MgO/Fe/NM tunnel junction with non-magnetic (NM) leads and finite Fe spacer layers between the leads and the MgO barrier is discussed. The conductance is calculated as a function of the number of Fe layers. The results show that even one iron layer next to the barrier is sufficient to obtain a high spin polarization and a high TMR ratio. This finding implies that similar results can be expected for tunnel junctions with nonmagnetic and even amorphous leads, if states of Δ1 symmetry are provided.

Structural properties and electronic structure of some ternary d-electron and f-electron intermetallics

2000 ◽  
Vol 12 (7) ◽  
pp. 1269-1284 ◽  
Author(s):  
A Slebarski ◽  
M Orzechowska ◽  
A Wrona ◽  
J Szade ◽  
A Jezierski
Keyword(s):  
Electronic Structure ◽  
Structural Properties

A DFT study of the effect of OH groups on the optical, electronic, and structural properties of TiO2 nanoparticles

2015 ◽  
Vol 17 (7) ◽  
pp. 5321-5327 ◽  
Author(s):  
Olga Miroshnichenko ◽  
Sami Auvinen ◽  
Matti Alatalo
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Tio2 Nanoparticles ◽  
Structural Properties ◽  
Dft Method ◽  
Dft Study ◽  
Oh Groups ◽  
Electronic And Structural Properties

The effects of on-surface OH groups on the properties of small TiO2 particles have been studied with the DFT method. The OH groups affect the geometric and electronic structure of the clusters, resulting in changes in the optical properties.

scholarly journals Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe

2000 ◽  
Vol 61 (24) ◽  
pp. 16589-16595 ◽  
Author(s):  
E. A. Albanesi ◽  
C. M. I. Okoye ◽  
C. O. Rodriguez ◽  
E. L. Peltzer y Blanca ◽  
A. G. Petukhov
Keyword(s):  
Electronic Structure ◽  
Structural Properties
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