Computational Analysis of Strain Effects on Electrical Transport Properties of Crystalline Nanocomposite Thin Films

Electronic Band ◽

Strain Effects ◽

Nanocomposite Thin Films

In this work, we model the strain effects on the electrical transport properties of Si/Ge nanocomposite thin films. We utilize a two-band k·p theory to calculate the variation of the electronic band structure as a function of externally applied strains. By using the modified electronic band structure, electrical conductivity of the Si/Ge nanocomposites is calculated through a self-consistent electron transport analysis, where a nonequilibrium Green’s function (NEGF) is coupled with the Poisson equation. The results show that both the tensile uniaxial and biaxial strains increase the electrical conductivity of Si/Ge nanocomposite. The effects are more evident in the biaxial strain cases.

Three-dimensional strain engineering in epitaxial vertically aligned nanocomposite thin films with tunable magnetotransport properties

Materials Horizons ◽

10.1039/c8mh00216a ◽

2018 ◽

Vol 5 (3) ◽

pp. 536-544 ◽

Cited By ~ 25

Author(s):

Xing Sun ◽

Jijie Huang ◽

Jie Jian ◽

Meng Fan ◽

Han Wang ◽

...

Keyword(s):

Thin Films ◽

Transport Properties ◽

Electrical Transport ◽

Three Dimensional ◽

Strain Engineering ◽

Nanocomposite Thin Films ◽

Vertically Aligned ◽

3D Framework

A novel three-dimensional (3D) framework with integrated lateral and vertical interfaces, enables the power of 3D strain tuning and improves its electrical transport properties.

Pressure-Induced Structural Phase Transition and Metallization in Ga2Se3 up to 40.2 GPa under Non-Hydrostatic and Hydrostatic Environments

Crystals ◽

10.3390/cryst11070746 ◽

2021 ◽

Vol 11 (7) ◽

pp. 746

Author(s):

Meiling Hong ◽

Lidong Dai ◽

Haiying Hu ◽

Xinyu Zhang

Keyword(s):

Phase Transition ◽

Electrical Conductivity ◽

High Pressure ◽

Phase Transformation ◽

Transport Properties ◽

Electrical Transport ◽

Structural Phase ◽

Structure Evolution ◽

Systematic Research ◽

Electrical Transport Properties

A series of investigations on the structural, vibrational, and electrical transport characterizations for Ga2Se3 were conducted up to 40.2 GPa under different hydrostatic environments by virtue of Raman scattering, electrical conductivity, high-resolution transmission electron microscopy, and atomic force microscopy. Upon compression, Ga2Se3 underwent a phase transformation from the zinc-blende to NaCl-type structure at 10.6 GPa under non-hydrostatic conditions, which was manifested by the disappearance of an A mode and the noticeable discontinuities in the pressure-dependent Raman full width at half maximum (FWHMs) and electrical conductivity. Further increasing the pressure to 18.8 GPa, the semiconductor-to-metal phase transition occurred in Ga2Se3, which was evidenced by the high-pressure variable-temperature electrical conductivity measurements. However, the higher structural transition pressure point of 13.2 GPa was detected for Ga2Se3 under hydrostatic conditions, which was possibly related to the protective influence of the pressure medium. Upon decompression, the phase transformation and metallization were found to be reversible but existed in the large pressure hysteresis effect under different hydrostatic environments. Systematic research on the high-pressure structural and electrical transport properties for Ga2Se3 would be helpful to further explore the crystal structure evolution and electrical transport properties for other A2B3-type compounds.

Electronic Band Structure and Transport Properties of the Cluster Compound Ag3Tl2Mo15Se19

Inorganic Chemistry ◽

10.1021/acs.inorgchem.8b03452 ◽

2019 ◽

Vol 58 (9) ◽

pp. 5533-5542 ◽

Cited By ~ 4

Author(s):

Patrick Gougeon ◽

Philippe Gall ◽

Rabih Al Rahal Al Orabi ◽

Benoit Boucher ◽

Bruno Fontaine ◽

...

Keyword(s):

Band Structure ◽

Transport Properties ◽

Cluster Compound ◽

Electronic Band

Electronic band structure of gallium nitride: a comparative angle-resolved photoemission study of single crystals and thin films

Surface Science ◽

10.1016/s0039-6028(02)01216-5 ◽

2002 ◽

Vol 507-510 ◽

pp. 223-228 ◽

Cited By ~ 13

Author(s):

L. Plucinski ◽

T. Strasser ◽

B.J. Kowalski ◽

K. Rossnagel ◽

T. Boetcher ◽

...

Keyword(s):

Thin Films ◽

Gallium Nitride ◽

Band Structure ◽

Single Crystals ◽

Electronic Band ◽

Photoemission Study

Resistive switching in diamondoid thin films

Scientific Reports ◽

10.1038/s41598-020-76093-3 ◽

2020 ◽

Vol 10 (1) ◽

Author(s):

A. Jantayod ◽

D. Doonyapisut ◽

T. Eknapakul ◽

M. F. Smith ◽

W. Meevasana

Keyword(s):

Thin Film ◽

Thin Films ◽

Transport Properties ◽

Resistive Switching ◽

Electrical Transport ◽

Hysteresis Curve ◽

Applied Potential ◽

Non Volatile Memory ◽

Memory Applications

Abstract The electrical transport properties of a thin film of the diamondoid adamantane, deposited on an Au/W substrate, were investigated experimentally. The current I, in applied potential V, from the admantane-thiol/metal heterstructure to a wire lead on its surface exhibited non-symmetric (diode-like) characteristics and a signature of resistive switching (RS), an effect that is valuable to non-volatile memory applications. I(V) follows a hysteresis curve that passes twice through $$I(0)=0$$ I ( 0 ) = 0 linearly, indicating RS between two states with significantly different conductances, possibly due to an exotic mechanism.

Preparation, thermal stability and electrical transport properties of vaesite, NiS2

10.7287/peerj.preprints.27825 ◽

2019 ◽

Author(s):

Helena M Ferreira ◽

Elsa B Lopes ◽

José F Malta ◽

Luís M Ferreira ◽

Maria H Casimiro ◽

...

Keyword(s):

Thermal Stability ◽

Electrical Transport ◽

Hot Pressing ◽

Density Functional ◽

Single Phase ◽

Electronic Band ◽

Metallic Behavior ◽

Starting Point

Vaesite, a nickel chalcogenide with NiS2 formula, has been synthetized and studied by theoretical and experimental methods. NiS2 was prepared by solid-state reaction under vacuum and densified by hot-pressing, at different consolidation conditions. Dense single-phase pellets (relative densities >94%) were obtained, without significant lattice distortions for different hot-pressing conditions. The thermal stability of NiS2 was studied by thermogravimetric analysis. Both as-synthetized and hot-pressed NiS2 have a single phase nature, although some hot-pressed samples had traces of the sulfur deficient phase, Ni1-xS (<1%vol), due to the strong desulfurization at T > 340ºC. The electronic band structure and density of states were calculated by Density Functional Theory (DFT), indicating a metallic behavior. However, the electronic transport measurements showed p-type semiconductivity for bulk NiS2, verifying its characteristic behavior has a Mott insulator. The consolidation conditions strongly influence the electronic properties, with the best room-temperature Seebeck coefficient, electrical resistivity and power factor being 182µVK-1, 2257μΩm and 14.1µWK-2m-1, respectively, pointing this compound as a good starting point for a new family of thermoelectric materials.