?url_ver=Z39.88-2004&rft_id=10.5204%2Fthesis.eprints.134414&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rft.title=Electronic+band+structure+equations+and+Fermi+surface+evolution+from+2D+materials+to+3D+layered+superconducting+compounds&rft.creator=Almutairi%2C+Alanoud&rft.subject=Superconductivity&rft.subject=Electronic+band+structure&rft.subject=Density+Functional+Theory&rft.subject=Fermi+surface&rft.subject=Phonon+dispersions&rft.subject=Fermi+level&rft.subject=Fermi+energy&rft.subject=k-grid&rft.subject=effective+masses&rft.subject=MgB2&rft.subject=EDCA&rft.description=A+simple+approach+for+extracting+the+superconducting+gap+of+materials+from+trendline+fittings+of+key+sections+of+their+Electronic+Band+Structures+(EBS)%2C+calculated+using+Density+Functional+Theory+(DFT)%2C+is+presented.+The+proposed+approach+works+well+for+very+different+compositions%2C+structure+types+and+superconducting+transition+temperatures%2C+indicating+that+it+is+robust%2C+reliable+and+versatile.+This+approach+provides+many+advantages+in+terms+of+required+computational+time+and+power%2C+compared+with+similar+information+extracted+from+phonon+dispersion+calculations%2C+making+it+accessible+to+wider+DFT-computational+chemistry+and+physics+communities.+The+approach+also+identifies+requirements+for+superconductivity+and+indirectly+contributes+towards+understanding+of+superconductivity+mechanisms.&rft.publisher=Queensland+University+of+Technology&rft.date=2019&rft.type=Thesis&rft.format=application%2Fpdf&rft.relation=https%3A%2F%2Feprints.qut.edu.au%2F134414%2F1%2FAlanoud%2520Mulfi%2520Z_Almutairi_Thesis.pdf&rft.rights=free_to_read&rft.rights=http%3A%2F%2Fcreativecommons.org%2Flicenses%2Fby-nc-nd%2F4.0%2F&rft.relation=doi%3A10.5204%2Fthesis.eprints.134414&rft.relation=Almutairi%2C+Alanoud+(2019)+Electronic+band+structure+equations+and+Fermi+surface+evolution+from+2D+materials+to+3D+layered+superconducting+compounds.+PhD+thesis%2C+Queensland+University+of+Technology.&rft.id_number=https%3A%2F%2Feprints.qut.edu.au%2F134414%2F&rft.identifier=Science+%26+Engineering+Faculty%3B+School+of+Chemistry%2C+Physics+%26+Mechanical+Engineering