{"product_id":"ab-initio-study-of-the-properties-of-advanced-metal-nitrides-von-esther-orisakwe","title":"Ab-initio Study of the Properties of Advanced Metal Nitrides","description":"\u003cp\u003eMaterials are modeled by the ab-initio plane wave pseudopotential methods using density  functional theory. In this book, we are seeking new ultrahard with enhanced elastic and  mechanical properties, thermal stability as well as hardness which might be of advantage  over known traditional materials - diamond and cubic boron nitride. Structural, elastic and  electronic properties of the advanced metal nitrides M2N3 and their ternary phases were  investigated using both the local density approximation (LDA) and the generalized gradient  approximation (GGA). The relative stability of the ternary phases with respect to their  constituent mixtures is computed. Results obtained are compared with the available experimental and theoretical data. To gain more information concerning the elastic properties of  these hypothetical materials, we also computed the charge densities of the binary and ternary  phases. From these calculations suggestions are made as to how the elastic properties vary  from those of known hard materials.\u003c\/p\u003e\u003cdiv class=\"aw-variant-hidden-subtitle-div\" id=\"aw-variant-subtitle-9783659193613\"\u003e\u003ch3\u003eElastic Moduli of advanced orthorhombic binary and ternary metal nitrides\u003c\/h3\u003e\u003c\/div\u003e","brand":"Autorenwelt Shop","offers":[{"title":"Softcover - 9783659193613","offer_id":39489787723869,"sku":"9783659193613","price":49.0,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0940\/0622\/files\/1fde878a-7cfd-43af-9867-4759964ea166.jpg?v=1769665906","url":"https:\/\/shop.autorenwelt.de\/products\/ab-initio-study-of-the-properties-of-advanced-metal-nitrides-von-esther-orisakwe","provider":"Autorenwelt Shop","version":"1.0","type":"link"}