An accurate and compact tight-binding model for GeS
نویسندگان
چکیده
منابع مشابه
Calculation for Energy of (111) Surfaces of Palladium in Tight Binding Model
In this work calculation of energetics of transition metal surfaces is presented. The tight-binding model is employed in order to calculate the energetics. The tight-binding basis set is limited to d orbitals which are valid for elements at the end of transition metals series. In our analysis we concentrated on electronic effects at temperature T=0 K, this means that no entropic term will be pr...
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در این پایان نامه یک مولد برای چند قاب یا ابر قاب تولید شده تحت عمل نمایش یکانی تصویر برای گروه های شمارش پذیر گسسته بررسی خواهد شد. مثال هایی از این قاب ها چند قاب های گابور، ابرقاب های گابور و قاب هایی برای زیرفضاهای انتقال پایاست. نشان می دهیم که مولد چند قاب تنک نرمال شده (ابرقاب) یکتا وجود دارد به طوری که مینیمم فاصله را از ان دارد. همچنین مسایل مشابه برای قاب های دوگان مطرح شده و برخی ...
15 صفحه اولAccurate tight-binding Hamiltonians for two-dimensional and layered materials
Luis A. Agapito,1,2 Marco Fornari,3,4 Davide Ceresoli,5 Andrea Ferretti,6 Stefano Curtarolo,4,7 and Marco Buongiorno Nardelli2,4,* 1Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA 2Department of Physics, University of North Texas, Denton, Texas 76203, USA 3Department of Physics, Central Michigan University, Mount Pleasant, Michigan ...
متن کاملAccurate Tight-Binding Hamiltonians for 2D and Layered Materials
Luis A. Agapito, 2 Marco Fornari, 4 Davide Ceresoli, Andrea Ferretti, Stefano Curtarolo, 7 and Marco Buongiorno Nardelli 4, ∗ Department of Mechanical Engineering and Materials Science, Duke University, Durham, NC 27708, USA Department of Physics, University of North Texas, Denton, TX 76203, USA Department of Physics, Central Michigan University, Mt. Pleasant, MI 48859 Center for Materials Geno...
متن کاملAn Effective-Medium Tight-Binding Model for Silicon
A new method for calculating the total energy of Si systems is presented. The method is based on the effective-medium theory concept of a reference system. Instead of calculating the energy of an atom in the system of interest a reference system is introduced where the local surroundings are similar. The energy of the reference system can be calculated selfconsistently once and for all while th...
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2019
ISSN: 1742-6588,1742-6596
DOI: 10.1088/1742-6596/1159/1/012008