scholarly journals The Role of Interfacial Electronic Properties on Phonon Transport in Two-Dimensional MoS2 on Metal Substrates

2016 ◽  
Vol 8 (48) ◽  
pp. 33299-33306 ◽  
Author(s):  
Zhequan Yan ◽  
Liang Chen ◽  
Mina Yoon ◽  
Satish Kumar
Keyword(s):  
Electronic Properties ◽  
Phonon Transport ◽  
Two Dimensional ◽  
Metal Substrates

scholarly journals Electronic Properties of WS2/WSe2 Heterostructure Containing Te Impurity: The Role of Substituting Position

2019 ◽  
Vol 18 (03n04) ◽  
pp. 1940007
Author(s):  
A. V. Krivosheeva ◽  
V. L. Shaposhnikov ◽  
V. E. Borisenko ◽  
J.-L. Lazzari
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Energy Band ◽  
Two Dimensional ◽  
Energy Band Gap ◽  
Theoretical Simulation ◽  
Impurity Position

An impact of positions of Te atoms substituting W atoms in two-dimensional WS2/WSe2 heterostructures on their electronic properties is investigated by theoretical simulation. The substitution of W by Te tends to reduce the energy band gap and can lead to metallic properties depending on the impurity position and concentration.

Electronic properties of quasi two-dimensional transition metals chalcogenides with low-dimensional magnetism

Doklady BGUIR ◽  
2020 ◽  
Vol 18 (7) ◽  
pp. 87-95
Author(s):  
M. S. Baranava ◽  
P. A. Praskurava
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Exchange Interaction ◽  
Electronic Properties ◽  
Metal Atom ◽  
Transition Metal Atom ◽  
Two Dimensional ◽  
Transition Metal Atoms ◽  
Ground Magnetic ◽  
Low Dimensional

The search for fundamental physical laws which lead to stable high-temperature ferromagnetism is an urgent task. In addition to the already synthesized two-dimensional materials, there remains a wide list of possible structures, the stability of which is predicted theoretically. The article suggests the results of studying the electronic properties of MAX3 (M = Cr, Fe, A = Ge, Si, X = S, Se, Te) transition metals based compounds with nanostructured magnetism. The research was carried out using quantum mechanical simulation in specialized VASP software and calculations within the Heisenberg model. The ground magnetic states of twodimensional MAX3 and the corresponding energy band structures are determined. We found that among the systems under study, CrGeTe3 is a semiconductor nanosized ferromagnet. In addition, one is a semiconductor with a bandgap of 0.35 eV. Other materials are antiferromagnetic. The magnetic moment in MAX3 is localized on the transition metal atoms: in particular, the main one on the d-orbital of the transition metal atom (and only a small part on the p-orbital of the chalcogen). For CrGeTe3, the exchange interaction integral is calculated. The mechanisms of the formation of magnetic order was established. According to the obtained exchange interaction integrals, a strong ferromagnetic order is formed in the semiconductor plane. The distribution of the projection density of electronic states indicates hybridization between the d-orbital of the transition metal atom and the p-orbital of the chalcogen. The study revealed that the exchange interaction by the mechanism of superexchange is more probabilistic.

First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

2019 ◽  
Vol 58 (SC) ◽  
pp. SCCB35 ◽  
Author(s):  
Tomoe Yayama ◽  
Anh Khoa Augustin Lu ◽  
Tetsuya Morishita ◽  
Takeshi Nakanishi
Keyword(s):  
Temperature Effect ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Study

scholarly journals Structural, elastic, and electronic properties of chemically functionalized boron phosphide monolayer

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8552-8558
Author(s):  
Tuan V. Vu ◽  
A. I. Kartamyshev ◽  
Nguyen V. Hieu ◽  
Tran D. H. Dang ◽  
Sy-Ngoc Nguyen ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Surface Functionalization ◽  
Two Dimensional ◽  
Boron Phosphide

Surface functionalization is one of the useful techniques for modulating the mechanical and electronic properties of two-dimensional systems.

Magnetic and phonon transport properties of two-dimensional room-temperature ferromagnet VSe2

2021 ◽  
Author(s):  
Haohao Sheng ◽  
Haoxiang Long ◽  
Guanzhen Zou ◽  
Dongmei Bai ◽  
Junting Zhang ◽  
...  
Keyword(s):  
Transport Properties ◽  
Room Temperature ◽  
Phonon Transport ◽  
Two Dimensional

scholarly journals Role of fluctuations in the yielding transition of two-dimensional glasses

2020 ◽  
Vol 2 (2) ◽  
Author(s):  
Misaki Ozawa ◽  
Ludovic Berthier ◽  
Giulio Biroli ◽  
Gilles Tarjus
Keyword(s):  
Two Dimensional
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