Study of electronic structure and elastic properties of transition metal and actinide carbides

التفاصيل البيبلوغرافية
العنوان: Study of electronic structure and elastic properties of transition metal and actinide carbides
المؤلفون: Abhijit Mookerjee, Sudipta Deb, Tanmoy Das
المصدر: IndraStra Global.
بيانات النشر: ELSEVIER SCIENCE BV, 2005.
سنة النشر: 2005
مصطلحات موضوعية: Materials science, Transition Metals, Charge density, Thermodynamics, Actinide, Electronic structure, Condensed Matter Physics, Electronic, Optical and Magnetic Materials, Carbide, Actinides, Tight binding, Atomic orbital, Transition metal, High-Pressure, Electrical and Electronic Engineering, Atomic physics, Carbides, Electronic band structure
الوصف: We study the systematics of the electronic structures of the carbides of the transition series Sc, Ti, V, Zr and Hf and the actinides U and Th using the tight-binding linear muffin-tin orbitals method (TB-LMTO). The densities of states, charge distribution and energy bands are studied in the lowest energy configuration. Changes in the bonding configurations and the equations of state are also compared as we go from 3d Ti to 5d–4f Hf. For the actinide carbides, the f-states have features rather different from the 3d–5d transition metal carbides. Similar studies are made on these carbides.
اللغة: English
تدمد: 2381-3652
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::983ec4cde3320e47b4fcbc27397565f8Test
http://hdl.handle.net/10054/7014Test
حقوق: OPEN
رقم الانضمام: edsair.doi.dedup.....983ec4cde3320e47b4fcbc27397565f8
قاعدة البيانات: OpenAIRE