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Teoretična obravnava transportnih in optičnih lastnosti elektronskih kristalov
ID Rutar, Rok (Author), ID Golež, Denis (Mentor) More about this mentor... This link opens in a new window

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Abstract
V projektu obravnavamo transportne in optične lastnosti šibko dopiranih Wignerjevih kristalov. Za namen konkretnosti smo omejeni na efektivni dvodimenzionalni model tesne vezi na trikotni mreži s senčenim Coulombovim potencialom in fermioni brez internih prostostnih stopenj. Po zgledu materiala $1T-TaS_2$ smo osredotočeni na povprečne zasedenosti pri eni trinajstini atomske orbitale ter šibka dopiranja z elektroni ali vrzeli. Stanje sistema je opisano z nehomogeno teorijo Hartree-Focka, optične in transportne lastnosti pa smo preračunali z uporabo teorije linearnega odziva. Poleg tega smo upoštevali vpliva temperaturnih fluktuacij in netrivialnih konfiguracij z uporabo Metropolis-Hastingsovega algoritma. Uspelo nam je potrditi prisotnost faznega prehoda prvega reda pri končni temperaturi med fazama z in brez reda dolgega dosega. Poleg tega imata dopiranje in prisotnost domenskih sten netrivialni učinek na transportne in optične lastnosti snovi.

Language:Slovenian
Keywords:elektronski kristali, teorija Hartree-Focka, opti"cni odziv
Work type:Master's thesis/paper
Typology:2.09 - Master's Thesis
Organization:FMF - Faculty of Mathematics and Physics
Year:2026
PID:20.500.12556/RUL-181865 This link opens in a new window
COBISS.SI-ID:275627523 This link opens in a new window
Publication date in RUL:17.04.2026
Views:224
Downloads:114
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Secondary language

Language:English
Title:Theoretical analysis of transport and optical properties of electronic crystals
Abstract:
In this project, we examine the transport and optical properties of weakly doped Wigner crystals. For concreteness, we restrict ourselves to an effective two-dimensional tight-binding model on a triangular lattice with a screened Coulomb potential and fermions without internal degrees of freedom. Following the example of the material $1T-TaS_2$, we focus on average fillings of one thirteenth of an atomic orbital, as well as weak electron or hole doping. The state of the system is described using an inhomogeneous Hartree–Fock theory, while the optical and transport properties are calculated using linear response theory. In addition, we take into account the effects of thermal fluctuations and non-trivial configurations using the Metropolis–Hastings algorithm. We confirm the presence of a first-order phase transition at finite temperature between phases with and without long-range order. Furthermore, doping and the presence of domain walls have a non-trivial effect on the transport and optical properties of the material.

Keywords:electronic crystals, Hartree-Fock theory, optical response

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