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Browsing by Author "Bulut, Nejat"
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A contant binary systemin the Kepler field
Şahin, Funda (Izmir Institute of Technology, 2016-01)In this thesis, we carried out the light curve solutions of a contact binary system KIC (Kepler Input Catalog) 7821450 observed by Kepler. Kepler is a spaced-based mission that provides sufficient data about the systems ... -
Electronic correlations in metalloproteins: A quantum monte carlo study
Mayda, Selma (Izmir Institute of Technology, 2013)Metalloproteins are proteins that contain a metal atom. Some metalloproteins include a transition metal such as vitamin B12 (Co) and hemoglobin (Fe) and these structures show semiconducting properties. In this thesis, as ... -
Electronic structure and correlations of vitamin B12 studied within the Haldane-Anderson impurity model
Kandemir, Zafer; Mayda, Selma; Bulut, Nejat (Springer, 2016-05-01)We study the electronic structure and correlations of vitamin B12 (cyanocobalamine) by using theframework of the multi-orbital single-impurity Haldane-Anderson model of atransition-metal impurity in a semiconductor host. ... -
Electronic structure of cyanocobalamin: DFT+QMC study
Mayda, Selma; Kandemir, Zafer; Bulut, Nejat (Springer, 2017-11)We study the electronic structure and the magnetic correlations of cyanocobalamin (C63H88CoN14O14P) by using the framework of the multi-orbital single-impurity Haldane-Anderson model of a transition metal impurity in a ... -
Investigation of the electronic structure of the ruthenium dyes used in solar cells by combining Hartree-Fock Theory with the Quantum Monte Carlo technique
Berkman, Irmak Çağlar (Izmir Institute of Technology, 2015-12)The Haldane-Anderson model is constructed to describe the electronic properties of a system where a transition-metal impurity atom is added into a semiconductor host material. The electric and magnetic properties of the ... -
Mapping of the electronic structure of metalloproteins onto multi-orbital anderson model using the density functional theory
Kandemir, Zafer (Izmir Institute of Technology, 2013)In this thesis, an effective Haldane-Anderson model is constructed in order to describe the electronic properties of a system where a the transition-metal impurity atom is added into a semiconductor host material. ... -
Quantum Monte Carlo study of the multi-orbital Anderson model including the SU(2) invariant Hund's coupling
Öztarhan, Gökhan (Izmir Institute of Technology, 2018-06)In this study, an SU(2) invariant multi-orbital Anderson impurity model is discussed to obtain the electronic properties of metalloproteins. Metalloproteins are organic molecules containing transition metal atoms. They ... -
Quantum renormalization of the spin hall effect
Gu, Bo; Gan, Jing-Yu; Bulut, Nejat; Ziman, Timothy; Guo, Guang-Yu; Nagaosa, Naoto; Maekawa, Sadamichi (American Physical Society, 2010-08)By quantum Monte Carlo simulation of a realistic multiorbital Anderson impurity model, we study the spin-orbit interaction (SOI) of an Fe impurity in Au host metal. We show, for the first time, that the SOI is strongly ... -
A simple case of d (x 2- y 2) pairing: Hubbard ladder
Bulut, Nejat (EDP Sciences, 2012)We study the strength and the temperature scale of the d(x 2-y2) pairing correlations in the Hubbard model on a ladder lattice using Quantum Monte Carlo (QMC) simulations. In particular, we present QMC results on the ... -
Spin-spin correlations of magnetic adatoms on graphene
Güçlü, Alev Devrim; Bulut, Nejat (American Physical Society, 2015-03-03)We study the interaction between two magnetic adatom impurities in graphene using the Anderson model. The two-impurity Anderson Hamiltonian is solved numerically by using the quantum Monte Carlo technique. We find that the ...
