پديد آورنده :
تربتيان، زهرا
عنوان :
محاسبه ابتدا به ساكن ضريب هال در فلزات مكعبي با استفاده از توابع وانيربيشينه جايگزيده
مقطع تحصيلي :
كارشناسي ارشد
محل تحصيل :
اصفهان: دانشگاه صنعتي اصفهان، دانشكده فيزيك
صفحه شمار :
[نه]، 88ص: مصور
يادداشت :
ص.ع. به : فارسي و انگليسي
استاد راهنما :
جواد هاشمي فر
استاد مشاور :
هادي اكبر زاده
توصيفگر ها :
pd، pb،Li، cu،Al، Ag، Al , بسته موج , ضريب هال
تاريخ نمايه سازي :
21/11/88
چكيده فارسي :
به فارسي و انگليسي: قابل رويت در نسخه ديجيتال
چكيده انگليسي :
First Principles study of Hall coe cient for cubic metals by using Maximally Localized Wannier Functions Zahra Torbatian E mail address z torbatian@ph iut ac ir Date of Submission 18 10 2009 Department of Physics Isfahan University of Technology Isfahan 84156 83111 IranDegree M Sc Language FarsiSupervisor Dr S Javad HashemifarAbstract Electronic transport properties such as electrical conductivity Hall and thermoelectric e ectsare important is uses in material design and applications The Hall e ect is used to measure magne toresistivity resistivity of materials in the presence of magnetic elds and to investigate the typeof the charge carriers In order to calculate electronic transport properties a convenient methodshould be used to describe the electron behaviour in a crystal The localized representation of wavefunction in real space in which electrons are described by wave packets allows us to study electronmotion when di erent elds are applied While extended Bloch functions are suitable for descriptionof the electron behaviour in reciprocal space including electron bandstructure and Fermi surface Maximally Localized Wannier Functions MLWF S are obtained via Fourier transformation of therotated Bloch functions and are assumed as ideal wave packets to be used in semiclassical theories In this thesis we used semiclassical Boltzmann theory to study Hall e ect in cubic metals in thepresence of weak electric and magnetic elds First we use PWSCF and WANNIER90 codes to ob tain MLWF S of cubic metals including Pb Li Cu Au Ag Pd and Al The obtained MLWF S arethen used to interpolate the electronic bandstructure on very ne mesh and more over to calculateband deriveties After that the proper program were developed to insert these data into obtainedsemiclassical formals and to calculate the Hall coe cient of these metals Finally we discussed ourresults by using the concept of bandstructuer and Fermi surfaces and found that the accuracy of thesemiclassical Hall coe cient depends the validity of the constant relaxation time approximation Key Words MLWF S Pb Li Cu Au Ag Pd Al Wave packet Hall coe cient
استاد راهنما :
جواد هاشمي فر
استاد مشاور :
هادي اكبر زاده
