Ab-initio study of electronic structure of ScAuSn

被引：0
作者：
Ugur, S. [1 ]
Ugur, G. [1 ]
Soyalp, F. [1 ]
机构：
[1] Gazi Univ, Fac Arts & Sci, Dept Phys, TR-06500 Ankara, Turkey
来源：
SIX INTERNATIONAL CONFERENCE OF THE BALKAN PHYSICAL UNION | 2007年 / 899卷
关键词：
density functional theory; GGA; band structure;
D O I：
暂无
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The structural and electronic properties of ScAuSn in the space group F(4) over bar 3m have been studied, using density functional theory within the generalized gradient approximation. The lattice constant of this material is found to be 6.50 angstrom, which compares very well with the experimental value of 6.56 angstrom. We have also carried out band structure and density of states calculations for ScAuSn.
引用
收藏
页码：667 / 667
页数：1
相关论文
共 50 条
  • [21] Electronic structure, phase stability and elastic properties of ruthenium based four intermetallic compounds: Ab-initio study
    Jain, Ekta
    Pagare, Gitanjali
    Chouhan, Sunil Singh
    Sanyal, Sankar P.
    INTERMETALLICS, 2014, 54 : 79 - 85
  • [22] Ab-initio Study of Transition Metal Hydrides
    Sharma, Ramesh
    Shukla, Seema
    Dwivedi, Shalini
    Sharma, Yamini
    SOLID STATE PHYSICS: PROCEEDINGS OF THE 58TH DAE SOLID STATE PHYSICS SYMPOSIUM 2013, PTS A & B, 2014, 1591 : 1109 - 1111
  • [23] Strain effect on the electronic properties of III-nitride nanosheets:Ab-initio study
    GHASEMZADEH Farzaneh
    KANJOURI Faramarz
    Science China(Technological Sciences), 2018, (04) : 535 - 541
  • [24] Strain effect on the electronic properties of III-nitride nanosheets: Ab-initio study
    Farzaneh Ghasemzadeh
    Faramarz Kanjouri
    Science China Technological Sciences, 2018, 61 : 535 - 541
  • [25] Diameter Dependent Electronic, Optical and Transport Properties of CdSe Nanowire: Ab-Initio Study
    Khan, Md Shahzad
    Srivastava, Anurag
    SEMICONDUCTORS, 2019, 53 (13) : 1759 - 1768
  • [26] Strain effect on the electronic properties of III-nitride nanosheets: Ab-initio study
    Ghasemzadeh, Farzaneh
    Kanjouri, Faramarz
    SCIENCE CHINA-TECHNOLOGICAL SCIENCES, 2018, 61 (04) : 535 - 541
  • [27] Ab-Initio investigations of electronic and optical properties of Sn-hBN hetero-structure
    Shrivastava, Anup
    Saini, Shivani
    Singh, Sanjai
    PHYSICA B-CONDENSED MATTER, 2022, 624
  • [28] Application of ab-initio molecular electronic structure calculations of radiolytic and hydrolytic stabilities of prospective extractants
    Koubsky, Tomas
    Kalvoda, Ladislav
    JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY, 2015, 304 (01) : 227 - 235
  • [29] Analysis of the geometrical properties and electronic structure of arsenide doped boron clusters: Ab-initio approach
    Muz, Iskender
    Kurban, Mustafa
    Sanli, Kazim
    INORGANICA CHIMICA ACTA, 2018, 474 : 66 - 72
  • [30] Application of ab-initio molecular electronic structure calculations of radiolytic and hydrolytic stabilities of prospective extractants
    Tomáš Koubský
    Ladislav Kalvoda
    Journal of Radioanalytical and Nuclear Chemistry, 2015, 304 : 227 - 235
12345