Search

Two-dimensional (2D) ferromagnetic semiconductors (FM SCs) provide an ideal platform for the development of quantum information technology in nanoscale devices. However, many developed 2D FM materials present a very low Curie temperature (TC), greatly limiting their application in spintronic devices. In this work, we predict two stable 2D transition metal chalcogenides, V3Se3X2 (X = S, Te) monolayers, by using first-principles calculations. Our results show that the V3Se3Te2 monolayer is a robust bipolar magnetic SC with a moderate bandgap of 0.53 eV, while V3Se3S2 is a direct band-gap FM SC with a bandgap of 0.59 eV. Interestingly, the ferromagnetisms of both monolayers are robust due to the V–S/Se/Te–V superexchange interaction, and TCs are about 406 K and 301 K, respectively. Applying biaxial strains, the FM SC to antiferromagnetic (AFM) SC transition is revealed at 5% and 3% of biaxial tensile strain. In addition, their high mechanical, dynamical, and thermal stabilities are further verified by phonon dispersion calculations and ab initio molecular dynamics (AIMD) calculations. Their outstanding attributes render the V3Se3Y2 (Y = S, Te) monolayers promising candidates as 2D FM SCs for a wide range of applications. [ABSTRACT FROM AUTHOR]

Borophene with rich polymorphs has largely enriched the family of two-dimensional materials and attracted great research interest. Recently, the evolution of bilayer borophene (BLB) structures has aroused curiosity about the exploration of more members of BLB and their stability mechanism. Herein, we predicted a number of stable BLBs built by borophene monolayers using density functional theory calculations. Interestingly, four BLB polymorphs, such as α5-BLB, β8-BLB, α4-BLB, and β9-BLB, are identified as semiconductors with band gaps of 0.81, 0.34, 0.04, and 0.02 eV, respectively. In addition, four other types of BLBs, i.e., α3-BLB, β1-BLB, β6-BLB, and β12-BLB, are found to be stable metals. It is revealed that the interlayer B–B pillars play a crucial role in balancing the distribution of surplus electronic density in BLBs and are responsible for their super stabilities than those of borophene monolayers. Besides, the strong interlayer covalent interaction plays an important role in the semiconducting properties of these BLBs. Our results are helpful to understand the stability mechanism of BLB structures and expand the family of bilayer borophenes. [ABSTRACT FROM AUTHOR]

In this paper, site preference, phase stability and elastic parameters of MoSi2 for Al and Nb addition are studied using first-principles calculation. The results show that alloying elements can cause MoSi2 to change from C11b to C40 phase and the phase transition is due to the activated 1/2[ 1 ̄ 11](110) slip system for C11b. G ∕ B ratio reveals that the ductility is enhanced after phase transition. Ductile factor σ γ m ∕ σ c based on competitive processes between micro-crack opening and dislocations emission is defined to assess the ductility of MoSi2. Interestingly, the increased ductility is due to the activated dislocation emission but suppressed crack propagation. Finally, charge density and DOS indicate that the improved ductility is due to the weakened Mo-4d and Si-3p covalent interactions. [ABSTRACT FROM AUTHOR]

Aim:PYGL has been reported to have carcinogenic effects in a variety of tumors. This study is the first to reveal the relationship between PYGL and the prognosis of glioma. Materials & methods: Analyzing the Chinese Glioma Genome Atlas database, the authors revealed the expression status and prognostic value of PYGL in gliomas and used quantitative real-time PCR to verify PYGL expression again. Subsequently, they used Gene Set Enrichment Analysis to explore the biological pathways that PYGL may participate in. The authors also used the tumor immune estimation resource database to explore the relationship between PYGL and tumor immune cells. Results:PYGL is involved in the malignant progression of glioma. Conclusions:PYGL can be used as a new biomarker and molecular target for evaluating the prognosis and immunotherapy of glioma. [ABSTRACT FROM AUTHOR]

Despite the growing recognition of ITGB3BP as an essential feature of various cancers, the relationship between ITGB3BP and glioma remains unclear. The main aim of this study was to determine the prognostic and diagnostic value of ITGB3BP in glioma. RNA‐Seq and microarray data from 2222 glioma patients were included, and we found that the expression level of ITGB3BP in glioma tissues was significantly higher than that in normal brain tissues. Moreover, ITGB3BP can be considered an independent risk factor for poor prognosis and has great predictive value for the prognosis of glioma. Gene Set Enrichment Analysis results showed that ITGB3BP contributes to the poor prognosis of glioma by activating tumour‐related signalling pathways. Some small‐molecule drugs were identified, such as hexestrol, which may specifically inhibit ITGB3BP and be useful in the treatment of glioma. The TIMER database analysis results revealed a correlation between the expression of ITGB3BP and the infiltration of various immune cells in glioma. Our findings provide the first evidence that the up‐regulation of ITGB3BP correlates with poor prognosis in human glioma. Thus, ITGB3BP is a potential new biomarker that can be used for the clinical diagnosis and treatment of glioma. [ABSTRACT FROM AUTHOR]