scholarly journals Structural and Physical Properties of Ultrathin Bismuth Films

2021 ◽  
Vol 22 (4) ◽  
pp. 539-561
Author(s):  
V. L. Karbivskyy ◽  
V. V. Zaika ◽  
L. I. Karbivska ◽  
N. A. Kurgan ◽  
N. O. Zueva
Keyword(s):  
Band Structure ◽  
Film Thickness ◽  
Physical Properties ◽  
Transport Properties ◽  
Channel Model ◽  
Electronic Band Structure ◽  
Electronic Band ◽  
Structure Changes ◽  
Bismuth Films ◽  
The Many

Bismuth films are interesting objects for research because of the many effects occurring when the film thickness is less than 70 nm. The electronic band structure changes significantly depending on the film thickness. Consequently, by changing the film thickness, it is possible to control the physical properties of the material. The purpose of this paper is to give a brief description of the basic structural and physical properties of bismuth films. The structural properties, namely, morphology, roughness, nanoparticle size, and texture, are discussed first, followed by a description of the transport properties and the band structure. The transport properties are described using the semi-metal–semiconductor transition, which is associated with the quantum size effect. In addition, an important characteristic is a two-channel model, which allows describing the change in resistivity with temperature. The band structure of bismuth films is the most interesting part due to the anomalous effects for which there is still no unambiguous explanation. These effects include anomalous spin polarization, nontrivial topology, and zone changes near the edge of the film.

scholarly journals Electronic Band Structure and Transport Properties of the Cluster Compound Ag3Tl2Mo15Se19

2019 ◽  
Vol 58 (9) ◽  
pp. 5533-5542 ◽  
Author(s):  
Patrick Gougeon ◽  
Philippe Gall ◽  
Rabih Al Rahal Al Orabi ◽  
Benoit Boucher ◽  
Bruno Fontaine ◽  
...  
Keyword(s):  
Band Structure ◽  
Transport Properties ◽  
Electronic Band Structure ◽  
Cluster Compound ◽  
Electronic Band

scholarly journals Analyzing transport properties of p-type Mg2Si–Mg2Sn solid solutions: optimization of thermoelectric performance and insight into the electronic band structure

2019 ◽  
Vol 7 (3) ◽  
pp. 1045-1054 ◽  
Author(s):  
Hasbuna Kamila ◽  
Prashant Sahu ◽  
Aryan Sankhla ◽  
Mohammad Yasseri ◽  
Hoang-Ngan Pham ◽  
...  
Keyword(s):  
Band Structure ◽  
Transport Properties ◽  
Carrier Concentration ◽  
Solid Solutions ◽  
Figure Of Merit ◽  
Electronic Band Structure ◽  
Thermoelectric Performance ◽  
Electronic Band ◽  
P Type ◽  
Insight Into

Figure of merit zT mapping of p-Mg2Si1−xSnx with respect to carrier concentration.

scholarly journals Electronic stripes and transport properties in borophene heterostructures

Nanoscale ◽  
2019 ◽  
Vol 11 (38) ◽  
pp. 17894-17903 ◽  
Author(s):  
G. H. Silvestre ◽  
Wanderlã L. Scopel ◽  
R. H. Miwa
Keyword(s):  
Band Structure ◽  
Fermi Level ◽  
Transport Properties ◽  
Electronic Band Structure ◽  
Electronic States ◽  
Electronic Band

(Left) Localization of the electronic states near the Fermi level, and the electronic band structure projected on the S1 and S2 stripes. (Right) Transmission probabilites parallel (y) and perpendicular (x) to the S1/S2 borophene superlattice.

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

2011 ◽  
Author(s):  
Hua Li ◽  
Gang Li
Keyword(s):  
Thin Films ◽  
Electrical Conductivity ◽  
Band Structure ◽  
Transport Properties ◽  
Electrical Transport ◽  
Electronic Band Structure ◽  
Electrical Transport Properties ◽  
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.

Lattice and electronic band structure changes across the surface ferroelectric transition

1998 ◽  
Vol 249 (5-6) ◽  
pp. 505-511 ◽  
Author(s):  
Jaewu Choi ◽  
P.A. Dowben ◽  
Stephen Ducharme ◽  
V.M. Fridkin ◽  
S.P. Palto ◽  
...  
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band ◽  
Ferroelectric Transition ◽  
Structure Changes

Efficient Discovery of Optimal N-Layered TMDC Hetero-Structures

MRS Advances ◽  
2018 ◽  
Vol 3 (6-7) ◽  
pp. 397-402 ◽  
Author(s):  
Lindsay Bassman ◽  
Pankaj Rajak ◽  
Rajiv K. Kalia ◽  
Aiichiro Nakano ◽  
Fei Sha ◽  
...  
Keyword(s):  
Band Structure ◽  
Physical Properties ◽  
Band Gap ◽  
Electronic Band Structure ◽  
Transport Coefficients ◽  
Optimization Technique ◽  
Bayesian Optimization ◽  
Material Structure ◽  
Electronic Band ◽  
Structure Calculations

ABSTRACTVertical hetero-structures made from stacked monolayers of transition metal dichalcogenides (TMDC) are promising candidates for next-generation optoelectronic and thermoelectric devices. Identification of optimal layered materials for these applications requires the calculation of several physical properties, including electronic band structure and thermal transport coefficients. However, exhaustive screening of the material structure space using ab initio calculations is currently outside the bounds of existing computational resources. Furthermore, the functional form of how the physical properties relate to the structure is unknown, making gradient-based optimization unsuitable. Here, we present a model based on the Bayesian optimization technique to optimize layered TMDC hetero-structures, performing a minimal number of structure calculations. We use the electronic band gap and thermoelectric figure of merit as representative physical properties for optimization. The electronic band structure calculations were performed within the Materials Project framework, while thermoelectric properties were computed with BoltzTraP. With high probability, the Bayesian optimization process is able to discover the optimal hetero-structure after evaluation of only ∼20% of all possible 3-layered structures. In addition, we have used a Gaussian regression model to predict not only the band gap but also the valence band maximum and conduction band minimum energies as a function of the momentum.

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