Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection

Permanent URI for this collectionhttps://hdl.handle.net/11147/7148

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Access Right: Closed AccessAuthor: search.filters.author.Kang, Jun

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  • Article
    Molecular Engineering of Exchange Bias in Fe3GeTe2/Molecule Heterostructures
    (Amer Chemical Soc, 2025) Sharma, Mayank; Jo, Junhyeon; Avedissian, Garen; Bayindir, Bertug; Kang, Jun; Sahin, Hasan; Hueso, Luis E.
    Molecules offer a versatile route to tailor magnetism through chemical design and spin-state control. When integrated with surface-sensitive layered magnets, molecules can not only exhibit tunable magnetic properties or even activate distinct magnetic phases but can also interact with the layered magnets to manipulate their magnetic dynamics. Here, we demonstrate tunable exchange bias in hybrid heterostructures composed of the layered ferromagnet Fe3GeTe2 (FGT) and metallophthalocyanine (MPc) molecules having different central transition ions: MnPc, ZnPc, and H2Pc. The MnPc/FGT system exhibits a robust exchange bias of 1000 Oe at 10 K, with a record-high exchange bias-to-coercivity ratio of 0.37, attributed to the antiferromagnetic nature of MnPc. Surprisingly, the diamagnetic ZnPc induces a finite exchange bias of 200 Oe, highlighting the contribution of the emerging spinterface effect. In contrast, the metal-free H2Pc yields no exchange bias, underscoring the essential role of designed molecules for magnetic interaction. First-principles calculations reveal energetically favorable stacking configurations and spin alignments, in agreement with experimental observations. These results highlight the potential of molecular functionalization on magnetism, enabling the on-demand engineering of layered magnetic systems.
  • Article
    Citation - WoS: 17
    Citation - Scopus: 18
    Origin of Anomalous Band-Gap Bowing in Two-Dimensional Tin-Lead Mixed Perovskite Alloys
    (American Physical Society, 2021) Gao, Qiang; Şahin, Hasan; Kang, Jun; Wei, Su-Huai
    The origin of the pronounced and composition-dependent band-gap bowing in Sn/Pb mixed perovskite alloys has been under debate for a long time. Previous studies reported conflicting results on whether the chemical or structural effect is the dominant mechanism. In this paper, the band-gap bowing effect and its possible origins in recently synthesized two-dimensional (2D) Cs2PbxSn1-xI2Cl2 alloys are investigated from first-principles calculations. In agreement with experiments, a large and composition-dependent bowing coefficient is observed. By analyzing the contribution from volume deformation, charge exchange, structural relaxation, and short-range order, it is found that the dominant mechanism causing the anomalous gap bowing is the structural relaxation-induced wave-function localization, forming isovalent-defect-like states, despite the negligible octahedral distortion and small lattice mismatch between the two end compounds. This is understood by the s-p repulsion-induced strong antibonding character of the valence-band maximum which leads to a large deformation potential, thus even a small atomic displacement can result in a large shift of the energy level. These results thus highlight the critical role of strong deformation potential and structural relaxation effect in unusual band evolution of 2D Sn/Pb perovskite alloys, and can be helpful to the modulation of their band gap for optoelectronic applications.
  • Article
    Citation - WoS: 8
    Citation - Scopus: 8
    Electronic Properties of Intrinsic Vacancies in Single-Layer Caf2 and Its Heterostructure With Monolayer Mos2
    (AIP Publishing LLC, 2021) Li, Zhenzhen; Başkurt, Mehmet; Şahin, Hasan; Gao, Shiwu; Kang, Jun
    Exploring gate insulator materials for 2D transistors and their defect properties is of importance for device performance optimization. In this work, the structural and electronic properties of intrinsic vacancies in the CaF2 single layer and its heterostructures with monolayer MoS2 are investigated from first-principles calculations. V-Ca introduces a shallow defect level close to the VBM, whereas VF introduces a deep level below the CBM. In both cases, spin polarization is observed. Overall, VF has a relatively lower formation energy than VCa, except for the extreme Ca-rich case. Thus, VF should be dominant in CaF2. The band offset between CaF2 and MoS2 is determined to be type-I, with large offsets at both the conduction band and valence band. With the presence of vacancies in CaF2, the type-I band offset is preserved. The electron or hole on the defect states will transfer from CaF2 to MoS2 due to the large band offset, and spin polarization vanishes. Nevertheless, there are no defect states inside the gap or around the band edge of MoS2, and the electronic properties of MoS2 are almost intact. Compared with h-BN that has a small valence band offset with MoS2 and could introduce in-gap defect states, CaF2 can be a good candidate to serve as the dielectric layer of MoS2-based transistors. Published under an exclusive license by AIP Publishing.