The mechanical properties of pure and doped crystalline Ge2Sb2Te5 were investigated by using density functional calculations. Nitrogen or oxygen was added at either the interstitial or substitutional sites of cubic Ge2Sb2Te5. The lattice parameter, elastic stiffness and related moduli were investigated from the viewpoint of the doping concentration, dopant species, dopant states and film direction. The effect of the doping concentration was more dominant than those of the dopant species and their states on the non-directionality properties, such as the bulk modulus and lattice parameter. It turned out that Ge2Sb2Te5 became slightly more rigid as the doping concentration of nitrogen or oxygen increased. On the other hand, the effect of the film direction on the directional properties, such as the biaxial modulus of the Ge2Sb2Te5 film, was found to be more predominant than that of doping. The biaxial modulus of the (001) oriented film was calculated to be much higher than those of the other films, indicating that the (001) film is the most vulnerable to thermal stress.

Download full-text PDF

Source
http://dx.doi.org/10.1166/jnn.2012.6387DOI Listing

Publication Analysis

Top Keywords

nitrogen oxygen
12
doping concentration
12
density functional
8
functional calculations
8
mechanical properties
8
doped crystalline
8
crystalline ge2sb2te5
8
lattice parameter
8
dopant species
8
film direction
8

Similar Publications

Precious metal-based single-atom catalysts (PM-SACs) hosted in N-doped carbon supports have shown new opportunities to revolutionize cathodic oxygen reduction reaction (ORR). However, stabilizing the high density of PM-N sites remains a challenge, primarily due to the inherently high free energy of isolated metal atoms, predisposing them to facile atomic agglomeration. Herein, a molten salt-assisted synthesis strategy is proposed to prepare porous PM/N-C (PM = Ru, Pt, and Pd) electrocatalysts with densely accessible PM-N sites.

View Article and Find Full Text PDF

N, O-Doped surface modulation of ZnInS with high hydrophilicity for enhanced photocatalytic hydrogen evolution.

J Colloid Interface Sci

December 2024

State Key Laboratory of High-efficiency Coal Utilization and Green Chemical Engineering, College of Chemistry and Chemical Engineering, Ningxia University, Yinchuan 750021, People's Republic of China. Electronic address:

Heteroatom doping is a promising strategy for optimizing the photocatalytic activity of semiconductors. However, relying solely on single-element doping often poses challenges in modulating the capabilities of semiconductors. Herein, we adopt a strategy of simultaneously modifying ZnInS with the double non-metallic elements nitrogen (N) and oxygen (O) to form (N, O)-ZnInS.

View Article and Find Full Text PDF

Pyrite in recirculating stacking hybrid constructed wetland: Electron transfer for nitrate reduction and phosphorus immobilization.

J Environ Manage

December 2024

Department of Ecology, Engineering Research Center for Tropical and Subtropical Aquatic Ecological Engineering, Ministry of Education, Jinan University, Guangzhou, 510632, PR China. Electronic address:

Pyrite is considered as an effective and environmentally friendly substrate in constructed wetlands (CW) for wastewater treatment, but its application in recirculation stacking hybrid constructed wetlands (RSHCW) has been scarcely studied. This study uses varying amounts of pyrite as the substrate in RSHCW, leveraging the recirculation of wastewater to alter microenvironments such as dissolved oxygen (DO) and pH, to explore the potential mechanisms of nitrogen (N) and phosphorus (P) removal in pyrite-based RSHCW. The results show that as the proportion of pyrite increases, the removal rate of total phosphorus (TP) in the effluent also increases (25%→58%), significantly enhancing the deposition of iron-bound phosphorus (Fe-P) on the substrate, thereby turning CW into a P reservoir.

View Article and Find Full Text PDF

Constructed wetlands (CWs) are a cost-effective, efficient, and long-term wastewater treatment solution in various countries. The efficacy and performance of constructed wetlands are greatly influenced by the substrate. Recently, biochar as a substrate, along with sand and gravel in constructed wetlands, has gained importance due to its various physical, chemical, and biological properties.

View Article and Find Full Text PDF

Environmental influence on single methylation variation sites (SMVs) in the large yellow croaker (Larimichthys crocea): identification and correlation analysis.

Mol Biol Rep

December 2024

National Engineering Research Center of Marine Facilities Aquaculture, College of Fisheries, Zhejiang Ocean University, No. 1 Haida South Road, Dinghai District, Zhoushan, 316022, Zhejiang Province, China.

Background: Larimichthys crocea is an important aquaculture species along the southeastern coast of China, with diverse environment and farming practices since artificial breeding, these different aquatic habitats are subject to significant variations in environmental factors that may involve modulation of gene expression through epigenetic mechanisms to enable species to survive and reproduce.

Methods And Results: This study aimed to identify methylation variation sites (SMVs) in different sequence contexts (CG, CHG, and CHH) within populations of L. crocea in different habitats.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!