Superconductivity and topologically nontrivial states in noncentrosymmetric XVSe2 (X = Pb, Sn): a first-principles study
Literature Information
Noncentrosymmetric superconductors are strong candidates for exploring intrinsic topological superconductivity. Here, we predict two new noncentrosymmetric superconductors SnVSe2 and PbVSe2 by a systematic first-principles study. These two compounds show good thermal and dynamic stabilities. Moreover, the band topology of both compounds is predicted to be nontrivial via Z2 calculation and slab models. We also investigate the electron–phonon interactions in SnVSe2 and PbVSe2, indicating the Tc of SnVSe2 and PbVSe2 without external pressure are predicted to be ∼1.18 K and ∼0.22 K, respectively. Furthermore, the results on pressure engineering in PbVSe2 imply that the Tc of PbVSe2 can be tuned to 2.39 K for enhanced contributions from Pb layers under pressure up to 6.4 GPa. This work may provide new platforms for probing spin-triplet paring and may help with designing and developing new metal-intercalated transition metal dichalcogenides.
Related Literature
Swelling of ionic microgel particles in the presence of excluded-volume interactions: a density functional approach
Arturo Moncho-Jordá
DOI: 10.1039/C5CP07794J
Correction: Effects of p-substituents on electrochemical CO oxidation by Rh porphyrin-based catalysts
Shin-ichi Yamazaki, Yusuke Yamada, Sahori Takeda, Midori Goto, Tsutomu Ioroi, Zyun Siroma, Kazuaki Yasuda
DOI: 10.1039/C6CP90101H
Incorrect DFT-GGA predictions of the stability of non-stoichiometric/polar dielectric surfaces: the case of Cu2O(111)
Niklas Nilius, Hanna Fedderwitz, Boris Groß, Claudine Noguera, Jacek Goniakowski
DOI: 10.1039/C5CP06933E
Large-size nanosheets of 9,10-bis(phenylethynyl)anthracene with high photoresponse and light emission anisotropy
Hong-Dan Peng, Jia-Mei Yang, Jing-Hui Yan, Ge-Bo Pan
DOI: 10.1039/C5CP05507E
Cyanophenyl vs. pyridine substituent: impact on the adlayer structure and formation on HOPG and Au(111)
B. Eggers, M. Metzler, D. Künzel, A. Groß, T. Jacob, U. Ziener
DOI: 10.1039/C5CP07853A
Effects of Pt dispersion on electronic and oxide ionic conductivity in Pr1.90Ni0.71Cu0.24Ga0.05O4
J. Hyodo, H. Schraknepper, K. Tominaga
DOI: 10.1039/C5CP07192E
Switching between cis and trans anions of 2-(2′-hydroxyphenyl)benzimidazole: a molecular rotation perturbed by chemical stabilization‡
Saugata Sahu, Minati Das, G. Krishnamoorthy
DOI: 10.1039/C5CP07949G
Selective adsorption of arsenate and the reversible structure transformation of the mesoporous metal–organic framework MIL-100(Fe)
Li Jiang, Chunru Wang
DOI: 10.1039/C6CP00249H
You might also like
What are the main uses of 1-(3-Aminophenyl)-3-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-pyridinyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]urea (CAS: 155412-88-7)?
This compound is mainly used as an intermediate in the synthesis of antipsychoti...
How should waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 19132-12-8) be handled?
Waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 191...
What regulatory guidelines apply to 2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 2007919-81-3)?
2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 20079...
What is N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0)?
N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0) is a chemical compound with...
What is 5-Chloro-2-hydroxybenzoic acid (CAS: 321-14-2)?
5-Chloro-2-hydroxybenzoic acid, also known as 5-chlorosalicylic acid, is an arom...
What precautions should be taken when handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6)?
When handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6), it is important to u...
What are the physical and chemical properties of Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid (CAS: 281655-32-1)?
Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid is a white crystalline solid ...
What are the main uses of 4-Amino-5-bromo-2-pyridinecarboxylic acid (CAS: 1363381-01-4)?
4-Amino-5-bromo-2-pyridinecarboxylic acid is primarily used as a precursor in th...
What precautions should be taken when handling (S)-tert-butyl 2-((2-(4-bromophenyl)-2-oxoethyl)carbamoyl)pyrrolidine-1-carboxylate (CAS: 1007881-98-2)?
Handling this compound should be done with personal protective equipment (PPE) i...
What precautions should be taken when handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS: 688363-73-7)?
When handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one, use prop...
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.














