scholarly journals Electronic Structure and Piezoelectric Properties of SbSI Crystals

10.5772/64223 ◽  
2016 ◽  
Author(s):  
Algirdas Audzijonis ◽  
Leonardas Žigas ◽  
Raimundas Sereika ◽  
Raimundas Žaltauskas
Keyword(s):  
Electronic Structure ◽  
Piezoelectric Properties

AgGaSiSe4: Growth, crystal and band electronic structure, optoelectronic and piezoelectric properties

2017 ◽  
Vol 95 ◽  
pp. 177-184 ◽  
Author(s):  
A.S. Krymus ◽  
I.V. Kityk ◽  
P. Demchenko ◽  
O.V. Parasyuk ◽  
G.L. Myronchuk ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Piezoelectric Properties

ChemInform Abstract: Tl10 Hg3 Cl16 : Single Crystal Growth, Electronic Structure and Piezoelectric Properties.

ChemInform ◽  
2016 ◽  
Vol 47 (46) ◽  
Author(s):  
O. Y. Khyzhun ◽  
M. Piasecki ◽  
I. V. Kityk ◽  
I. Luzhnyi ◽  
A. O. Fedorchuk ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Crystal Growth ◽  
Single Crystal ◽  
Piezoelectric Properties ◽  
Single Crystal Growth

scholarly journals Effect of Point Defects on Electronic Structure of Monolayer GeS

Nanomaterials ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 2960
Author(s):  
Hyeong-Kyu Choi ◽  
Janghwan Cha ◽  
Chang-Gyu Choi ◽  
Junghwan Kim ◽  
Suklyun Hong
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Chemical Potential ◽  
Piezoelectric Properties ◽  
2D Materials ◽  
Density Functional Theory Calculations ◽  
Group Iv ◽  
Functional Theory ◽  
Piezoelectric Strain ◽  
Atomic And Electronic Structure

Using density functional theory calculations, atomic and electronic structure of defects in monolayer GeS were investigated by focusing on the effects of vacancies and substitutional atoms. We chose group IV or chalcogen elements as substitutional ones, which substitute for Ge or S in GeS. It was found that the bandgap of GeS with substitutional atoms is close to that of pristine GeS, while the bandgap of GeS with Ge or S vacancies was smaller than that of pristine GeS. In terms of formation energy, monolayer GeS with Ge vacancies is more stable than that with S vacancies, and notably GeS with Ge substituted with Sn is most favorable within the range of chemical potential considered. Defects affect the piezoelectric properties depending on vacancies or substitutional atoms. Especially, GeS with substitutional atoms has almost the same piezoelectric stress coefficients eij as pristine GeS while having lower piezoelectric strain coefficients dij  but still much higher than other 2D materials. It is therefore concluded that Sn can effectively heal Ge vacancy in GeS, keeping high piezoelectric strain coefficients.

Tl10Hg3Cl16: Single crystal growth, electronic structure and piezoelectric properties

2016 ◽  
Vol 242 ◽  
pp. 193-198 ◽  
Author(s):  
O.Y. Khyzhun ◽  
M. Piasecki ◽  
I.V. Kityk ◽  
I. Luzhnyi ◽  
A.O. Fedorchuk ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Crystal Growth ◽  
Single Crystal ◽  
Piezoelectric Properties ◽  
Single Crystal Growth

EELS Measurement of the Local Electronic Structure of Copper Atoms Segregated to Aluminum Grain Boundaries

1996 ◽  
Vol 54 ◽  
pp. 342-343
Author(s):  
S.J. Splinter ◽  
J. Bruley ◽  
P.E. Batson ◽  
D.A. Smith ◽  
R. Rosenberg
Keyword(s):  
Electronic Structure ◽  
Grain Boundaries ◽  
Boundary Segregation ◽  
Thin Layers ◽  
Nominal Composition ◽  
Spatially Resolved ◽  
Service Lifetime ◽  
Heat Treated ◽  
Probe Size ◽  
Local Electronic Structure

It has long been known that the addition of Cu to Al interconnects improves the resistance to electromigration failure. It is generally accepted that this improvement is the result of Cu segregation to Al grain boundaries. The exact mechanism by which segregated Cu increases service lifetime is not understood, although it has been suggested that the formation of thin layers of θ-CuA12 (or some metastable substoichiometric precursor, θ’ or θ”) at the boundaries may be necessary. This paper reports measurements of the local electronic structure of Cu atoms segregated to Al grain boundaries using spatially resolved EELS in a UHV STEM. It is shown that segregated Cu exists in a chemical environment similar to that of Cu atoms in bulk θ-phase precipitates.Films of 100 nm thickness and nominal composition Al-2.5wt%Cu were deposited by sputtering from alloy targets onto NaCl substrates. The samples were solution heat treated at 748K for 30 min and aged at 523K for 4 h to promote equilibrium grain boundary segregation. EELS measurements were made using a Gatan 666 PEELS spectrometer interfaced to a VG HB501 STEM operating at 100 keV. The probe size was estimated to be 1 nm FWHM. Grain boundaries with the narrowest projected width were chosen for analysis. EDX measurements of Cu segregation were made using a VG HB603 STEM.

Electronic structure studies of conducting polymers by electron energy-loss spectroscopy

1996 ◽  
Vol 54 ◽  
pp. 160-161
Author(s):  
J. Fink
Keyword(s):  
Electronic Structure ◽  
Conducting Polymers ◽  
Conjugated Polymers ◽  
Electron Acceptors ◽  
Electron Donors ◽  
Light Emitting ◽  
One Dimensional ◽  
New Class ◽  
Electrical Conductivities ◽  
Electron Energy Loss

Conducting polymers comprises a new class of materials achieving electrical conductivities which rival those of the best metals. The parent compounds (conjugated polymers) are quasi-one-dimensional semiconductors. These polymers can be doped by electron acceptors or electron donors. The prototype of these materials is polyacetylene (PA). There are various other conjugated polymers such as polyparaphenylene, polyphenylenevinylene, polypoyrrole or polythiophene. The doped systems, i.e. the conducting polymers, have intersting potential technological applications such as replacement of conventional metals in electronic shielding and antistatic equipment, rechargable batteries, and flexible light emitting diodes.Although these systems have been investigated almost 20 years, the electronic structure of the doped metallic systems is not clear and even the reason for the gap in undoped semiconducting systems is under discussion.

Doping effects on the geometric and electronic structure of tin clusters

2019 ◽  
Vol 21 (44) ◽  
pp. 24478-24488 ◽  
Author(s):  
Martin Gleditzsch ◽  
Marc Jäger ◽  
Lukáš F. Pašteka ◽  
Armin Shayeghi ◽  
Rolf Schäfer
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Density Functional ◽  
Beam Deflection ◽  
Functional Theory ◽  
Doping Effects ◽  
Depth Analysis ◽  
Trajectory Simulations

In depth analysis of doping effects on the geometric and electronic structure of tin clusters via electric beam deflection, numerical trajectory simulations and density functional theory.

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