• Title/Summary/Keyword: fermi surface nesting

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The Role of Oxygen for Expressing Superconductivity in La-Ca-Cu-O Compounds

  • 정동운
    • Bulletin of the Korean Chemical Society
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    • v.20 no.3
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    • pp.281-284
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    • 1999
  • Two La1.82Ca1.18Cu2O6+δ (2126) compounds exhibited different properties depending upon how they were synthesized. The compound prepared under high oxygen pressure showed superconductivity. But the compound prepared under low oxygen pressure did not exhibit superconductivity, and showed a metal-insulator transition. Our study on these compounds shows that a small amount of additional oxygen intercalated into the superconducting phase plays an important role for superconductivity. The Fermi surface of non-superconducting 2126 compound possesses nesting phenomena, which is the reason for the M-1 transition. On the other hand, the superconducting 2126 compound does not show Fermi surface nesting. This is because the additional oxygen removes some electrons from Cu d-orbitals, thereby bradking the Fermi surface nesting.

Correlation Effect on the Electronic Structures of {Li, Na}FeAs ({Li, Na}FeAs 물질의 강상관계 전자 구조)

  • Ji, Hyo-Seok;Lee, Geun-Sik;Shim, Ji-Hoon
    • Progress in Superconductivity
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    • v.14 no.1
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    • pp.11-16
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    • 2012
  • Based on fully self-consistent dynamical mean field theory (DMFT) method, we investigate electronic structure and Fermi surface nesting property of LiFeAs and NaFeAs, focusing on the correlation effect of iron 3d orbital. For LiFeAs, good nesting property by density functional theory (DFT) method is much suppressed by DFT+DMFT method due to the orbital-dependent renormalization magnitude. NaFeAs shows a similar behavior, but a better nesting is obtained than LiFeAs from DFT+DMFT Fermi surfaces. Our result is consistent with the observed superconducting (spin density wave) ground state of LiFeAs (NaFeAs).

Relationship Between the Structure and the Superconductivity in LaFeAsO

  • Jung, Dongwoon;Cho, Sungwoo;Lee, In-Ja
    • Bulletin of the Korean Chemical Society
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    • v.34 no.3
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    • pp.912-916
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    • 2013
  • The electronic structure of LaFeAsO was analyzed by tight-binding band calculation based upon the normal and shrunk lattices. A strong Fermi surface nesting was found in the normal LaFeAsO, while most of the nesting area was disappeared in the shrunk LaFeAsO. It was found, therefore, high pressure atmosphere is required to become a superconductor for LaFeAsO by suppressing the SDW (spin density wave) state through the disappearance of the Fermi surface nesting.

The Origin of the Metal-insulator Transitions in Non-stoichiometric TlCu3-xS2 and α-BaCu2-xS2

  • Jung, Dong-woon;Choi, Hyun-Guk;Kim, Han-jin
    • Bulletin of the Korean Chemical Society
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    • v.27 no.3
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    • pp.363-367
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    • 2006
  • The structure-property relations of ternary copper chalcogenides, $TlCu_{3-x}S_2$ and $\alpha-BaCu_{2-x}S_2$ are examined. The density of states, band dispersions, and Fermi surfaces of these compounds are investigated to verify the reason of the metal-insulator transitions by extended Huckel tight-binding band calculations. The origin of the metalinsulator transitions of non-stoichiometric $TlCu_{3-x}S_2$ and $\alpha-BaCu_{2-x}S_2$ is thought to be the electronic instability induced by their Fermi surface nesting.

Theoretical Study of Bonding and Electrical Conductivity in the Ternary Molybdenum Oxide $KMo_4O_6$

  • 강대복
    • Bulletin of the Korean Chemical Society
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    • v.16 no.10
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    • pp.929-933
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    • 1995
  • The electronic band structure and electrical properties of KMo4O6 containing chains of condensed molybdenum octahedra are analyzed by means of the extended Hu&ckel tight-binding method. KMo4O6 has partially filled bands of 1D as well as 3D character. They also exhibit the anisotropic band dispersions with bandwidths much larger along the c* axis than along the directions perpendicular to it. Thus, conduction electrons are essentially delocalized along the c* direction (i.e., the chain of condensed molybdenum octahedra) in the solid. The 1D band of two partially filled d-block bands leads to Fermi surface nesting with the wave vector q=0.3c*. The CDW instability due to this nesting is expected to cause the phase transition associated with the resistivity anomaly at low temperature. The characteristics of metallic behavior in the crystallographic ab plane are explained on the basis of the unnested 2D Fermi surfaces.

Structural and Electronic Properties of an Alkali Fulleride, $Rb_1C_{60}$

  • Lee, Hye Yeong;Jeong, Dong Un
    • Bulletin of the Korean Chemical Society
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    • v.17 no.1
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    • pp.43-45
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    • 1996
  • Structural and electronic properties of an alkali metal fulleride, Rb1C60, was studied. In spite of the chain structure with shortdistance between balls along the crystallographic a-direction, the electronic structure calculation study with the X-ray defined crystal structure shows that Rb1C60 is a three-dimensional metal at room temperature. This result is different from the magnetic experiments in which the compound was found to behave as a quasi-one-dimensional metal. Partial Fermi surface nesting is supposed to be the reason for the metal-insulator transition found in Rb1C60 at ∼50 K.

Band Electronic Structure Study of Two-Dimensional Organic Metal (BEDT-TTF)2Cu5I6 with a Polymer Anion Layer

  • Dae Bok Kang
    • Bulletin of the Korean Chemical Society
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    • v.12 no.5
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    • pp.515-517
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    • 1991
  • The electronic behavior of a organic metal $(BEDT-TTE)_2$${Cu_5}{I_6}$ observed to be stable at low temperatures was examined by performing tight-binding band electronic structure calculations. The suppression of a metal-insulator tansition is likely to originate from its quasi-two-dimensional Fermi surface with no nesting, in agreement with experiment.

Factors Affecting the Magnitude of the Metal-Insulator Transition Temperature in AMo4O6 (A=K, Sn)

  • Jung, Dong-Woon;Choi, Kwang-Sik;Kim, Sung-Jin
    • Bulletin of the Korean Chemical Society
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    • v.25 no.7
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    • pp.959-964
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    • 2004
  • A low-dimensional metal frequently exhibits a metal-insulator transition through a charge-density-wave (CDW) or a spin-density-wave (SDW) which accompany it's structural changes. The transition temperature is thought to be determined by the amount of energy produced during the transition process and the softness of the original structure. $AMo_4O_6$ (A=K, Sn) are known to be quasi-one dimensional metals which exhibit metalinsulator transitions. The difference of the transition temperatures between $KMo_4O_6$ and $SnMo_4O_6$ (A=K, Sn) is examined by investigating their electronic and structural properties. Fermi surface nesting area and the lattice softness are the governing factors to determine the metal-insulator transition temperature in $AMo_4O_6$ compounds.

In Situ Spectroscopy in Condensed Matter Physics

  • Noh, Tae Won
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.92-92
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    • 2014
  • Recently, many state-of-art spectroscopy techniques are used to unravel the mysteries of condensed matters. And numerous heterostructures have provided a new avenue to search for new emergent phenomena. Especially, near the interface, various forms of symmetry-breaking can appear, which induces many novel phenomena. Although these intriguing phenomena can be emerged at the interface, by using conventional measurement techniques, the experimental investigations have been limited due to the buried nature of interface. One of the ways to overcome this limitation is in situ investigation of the layer-by-layer evolution of the electronic structure with increasing of the thickness. Namely, with very thin layer, we can measure the electronic structure strongly affected by the interface effect, but with thick layer, the bulk property becomes strong. Angle-resolved photoemission spectroscopy (ARPES) is powerful tool to directly obtain electronic structure, and it is very surface sensitive. Thus, the layer-by-layer evolution of the electronic structure in oxide heterostructure can be investigated by using in situ ARPES. LaNiO3 (LNO) heterostructures have recently attracted much attention due to theoretical predictions for many intriguing quantum phenomena. The theories suggest that, by tuning external parameters such as misfit strain and dimensionality in LNO heterostructure, the latent orders, which is absent in bulk, including charge disproportionation, spin-density-wave order and Mott insulator, could be emerged in LNO heterostructure. Here, we performed in situ ARPES studies on LNO films with varying the misfit strain and thickness. (1) By using LaAlO3 (-1.3%), NdGaO3 (+0.3%), and SrTiO3 (+1.7%) substrates, we could obtain LNO films under compressive strain, nearly strain-free, and tensile strain, respectively. As strain state changes from compressive to tensile, the Ni eg bands are rearranged and cross the Fermi level, which induces a change of Fermi surface (FS) topology. Additionally, two different FS superstructures are observed depending on strain states, which are attributed to signatures of latent charge and spin orderings in LNO films. (2) We also deposited LNO ultrathin films under tensile strain with thickness between 1 and 10 unit-cells. We found that the Fermi surface nesting effect becomes strong in two-dimensions and significantly enhances spin-density-wave order. The further details are discussed more in presentation. This work was collaborated with Hyang Keun Yoo, Seung Ill Hyun, Eli Rotenberg, Ji Hoon Shim, Young Jun Chang and Hyeong-Do Kim.

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Peierls Instability and Spin Ordering in Graphene

  • Kim, Hyeon-Jung;Jo, Jun-Hyeong
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.02a
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    • pp.204-204
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    • 2012
  • Peierls instability and spin ordering of zigzag graphene nanoribbons (GNR) created on a fully hydrogenated graphene (graphane) are investigated as a function of their width using first-principles density-functional calculations within the generalized-gradient approximation. For the width containing a single zigzag C chain (N=1), we find the presence of a Peierls instability with a bond alternated structure. However, for width greater than N=1, the Peierls distortion is weakened or disappears because of the incommensurate feature of Fermi surface nesting due to the interaction of C chains. Instead, there exists the antiferromagnetic (AFM) spin ordering in which the edge states are ferromagnetically ordered but the two ferromagnetic (FM) edges are antiferromagnetically coupled with each other, showing that electron-lattice coupling and spin ordering in GNR are delicately competing at an extremely thin width of N=2. It is found that, as the width of GNR increases, the energy gain arising from spin ordering is enhanced, but the energy difference between the AFM and FM (where two edge states are ferromagnetically coupled with each other) orderings decreases.

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