Murunskit u modelu čvrste veze

master's thesis

• Title (english): Murunskite in the tight-binding model
• Author: Tin Vranić
• Mentor: Denis Sunko (mentor)
• Committee member: Denis Sunko (predsjednik povjerenstva)
• Committee member: Neven Žitomir Barišić (član povjerenstva)
• Committee member: Maja Planinić (član povjerenstva)
• Committee member: Mihael Srđan Grbić (član povjerenstva)
• Committee member: Katarina Jeličić (član povjerenstva)
• Granter: University of Zagreb; Faculty of Science; (Department of Physics); Zagreb
• Defense date and country: 2024-09-23, Croatia
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Physics

Abstract

Murunskit, čija je kemijska formula K2FeCu3S4, pripada u skupinu željeznih halkogenida. Struktura materijal ista je strukturi željeznih pniktida kao što je LaFeAsO, čiji je model čvrste veze korišten kao baza za model murunskita. Model čvrste veze jednostavan je način proučavanja svojstava materijala s kompleksnim strukturama. Za proučavanje modela čvrste veze murunskita koristili smo Slater-Koster formalizam; koristeći Slater-Koster koeficijente, zapisali smo integrale skokova izmeću bakra,... More sumpora i željeza. Koristeći Python napisali smo program kojim možemo izračunati energetske vrpce modela i prikazati ih pomoću grafova energije. Također pratimo energetske vrpce po k-putu u prvoj Brillouinovoj zoni. Less

Abstract (english)

Murunskit, whose chemical formula is K2FeCu3S4, belongs to the group of iron chalcogenides. The material's structure is identical to that of iron pnictides such as LaFeAsO, and the tight-binding model of the iron pnictides was used as a basis for the murunskit model. The tight-binding model is a straightforward way to study the properties of materials with complex structures. For the study of the tight-binding model of murunskit, we used the Slater-Koster formalism. Using Slater-Koster... More parameters, we calculated the hopping integrals between copper, sulfur, and iron. We wrote a Python program to compute the energy bands of the model and display them using energy graphs. We also track the energy bands along the k-path in the first Brillouin zone. Less

• Keywords: murunskit; model čvrste veze; Slater-Koster formaliza
• Keywords (english): Murunskite; tight binding model; Slater-Koster formalism
• Language: croatian
• URN:NBN: urn:nbn:hr:217:068257
• Project: Number: IP-2022-10-3382; Title: Funkcionalni kompleksni materijali: elektronski podsustavi i valne funkcije; Title: Functional Complex Materials: Electronic Subsystems and Wave Functions; Acronym: FunSubWave; Leader: Neven Barišić; Jurisdiction: Croatia; Funder: Hrvatska zaklada za znanost; Funding stream: Research Projects
• Study programme: Title: The University Integrated Undergraduate and Graduate Programme in Physics; Research Physics; specializations in: Research Physics; Course: Research Physics; Study programme type: university; Study level: integrated undergraduate and graduate; Academic / professional title: sveučilišni magistar fizike (sveučilišni magistar fizike)
• Type of resource: Text
• File origin: Born digital
• Access conditions: Open access
• Created on: 2025-02-01 10:41:00