Biaxial strain, electric field and interlayer distance-tailored electronic structure and magnetic properties of two-dimensional g-C3N4/Li-adsorbed Cr2Ge2Te6 van der Waals heterostructures
Literature Information
Yaoqi Gao, Baozeng Zhou, Xiaocha Wang
Recently, it has been proven that the biaxial strain (ε), electric field (E) and interlayer distance (d) can effectively modulate the electronic structure and magnetic properties of two-dimensional (2D) van der Waals (vdW) heterostructures, which have potential applications in spintronic devices. Here, the electronic structure and magnetic properties of 2D g-C3N4/Li-adsorbed Cr2Ge2Te6 vdW heterostructures are investigated using first-principles calculations. Their lattice structures are seriously affected by adsorption combination. With external stimulation, the band gap of the heterostructures changes. The heterostructures are metallic at ε = −6% and −4%, and others are n-type semiconductors, where the band gap is 23 meV at ε = 6%. In addition, the magnetic moments of g-C3N4 in the adsorption systems are in the range from 0.029 to 0.226 μB. The vdW heterostructures show in-plane magnetic anisotropy (IMA) at ε = −6%, −2% and 6% and perpendicular magnetic anisotropy (PMA) at ε = −4%, 0, 2% and 4%. On applying an electric field and changing the interlayer distance, the vdW heterostructures show PMA. These results are significant to the low-dimensional spintronic devices.
Related Literature
Atomic charge transfer-counter polarization effects determine infrared CH intensities of hydrocarbons: a quantum theory of atoms in molecules model
Arnaldo F. Silva, Wagner E. Richter, Helen G. C. Meneses, Roy E. Bruns
DOI: 10.1039/C4CP02922D
External electric field induced hydrogen storage/release on calcium-decorated single-layer and bilayer silicene
Er Hong Song, Sung Ho Yoo, Jae Joon Kim, Shiau Wu Lai, Qing Jiang, Sung Oh Cho
DOI: 10.1039/C4CP02638A
Epitope mapping of imidazolium cations in ionic liquid–protein interactions unveils the balance between hydrophobicity and electrostatics towards protein destabilisation
Micael Silva, Angelo Miguel Figueiredo, Eurico J. Cabrita
DOI: 10.1039/C4CP03534H
Hydrogen bonding, halogen bonding and lithium bonding: an atoms in molecules and natural bond orbital perspective towards conservation of total bond order, inter- and intra-molecular bonding
Abhishek Shahi, Elangannan Arunan
DOI: 10.1039/C4CP02585G
Probing molecular interaction in ionic liquids by low frequency spectroscopy: Coulomb energy, hydrogen bonding and dispersion forces
Koichi Fumino, Sebastian Reimann
DOI: 10.1039/C4CP01476F
Physicochemical properties of pentaglyme–sodium bis(trifluoromethanesulfonyl)amide solvate ionic liquid
Shoshi Terada, Toshihiko Mandai, Risa Nozawa, Kazuki Yoshida, Kazuhide Ueno, Seiji Tsuzuki, Masayoshi Watanabe
DOI: 10.1039/C4CP00746H
The electronic structure of perfluorodecalin studied by soft X-ray spectroscopy and electronic structure calculations
M. Agåker, C. Schwanke, T. Petit, K. M. Lange, J.-E. Rubensson
DOI: 10.1039/C4CP03153A
Molecular dynamics in azobenzene liquid crystal polymer films measured by time-resolved techniques
T. Fujii, S. Kuwahara, K. Katayama, T. Ube, T. Ikeda
DOI: 10.1039/C4CP00457D
Role of the conformational flexibility of evodiamine in its binding to protein hosts: a comparative spectroscopic and molecular modeling evaluation with rutaecarpine
Celesztina Domonkos, Ilona Fitos, Júlia Visy, Ferenc Zsila
DOI: 10.1039/C4CP02483D
Combinatorial effect of rolling and carbonaceous nanoparticles on the evolution of crystallographic texture and structural properties of ultra high molecular weight polyethylene
Elayaraja Kolanthai, Rajib Kalsar, Suryasarathi Bose, Satyam Suwas, Kaushik Chatterjee
DOI: 10.1039/C4CP02815E
You might also like
What is the market or research trend for N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0)?
N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0) is increasingly being used ...
What precautions should be taken when handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate (CAS: 1050507-06-6)?
When handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate, appropriate p...
What regulatory guidelines apply to diethyldiselane (CAS: 628-39-7)?
Diethyldiselane (CAS: 628-39-7) is classified under the Globally Harmonized Syst...
What is the market or research trend for oxocopper (CAS: 12053-18-8)?
The market for oxocopper (CAS: 12053-18-8) is primarily driven by its use in cat...
What is the market or research trend for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-carboxylic acid?
The market for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-c...
What is 2-(1-Pyrrolidinyl)-4-pyridinamine (CAS: 35981-63-6)?
2-(1-Pyrrolidinyl)-4-pyridinamine is a chemical compound with the CAS number 359...
What are the physical and chemical properties of 2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1)?
2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1) is a crystalline sol...
How is (S)-Alpha-allyl-proline hydrochloride (CAS: 129704-91-2) typically synthesized?
(S)-Alpha-allyl-proline hydrochloride is usually synthesized via a Wittig reacti...
What is 3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5)?
3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5) is an organic compound w...
How is Lys-SMCC-DM1 (CAS: 1281816-04-3) typically synthesized?
Lys-SMCC-DM1 is synthesized via a multi-step process involving the coupling of S...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.












![N-{15-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-15-oxo-3,6,9,12-tetraoxapentadec-1-yl}-2-(2-propyn-1-yloxy)acetamide structure N-{15-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-15-oxo-3,6,9,12-tetraoxapentadec-1-yl}-2-(2-propyn-1-yloxy)acetamide structure](https://static.chemtradehub.com/structs/210/2101206-92-0-2eb5.webp)

