http://chineseinput.net/에서 pinyin(병음)방식으로 중국어를 변환할 수 있습니다.
변환된 중국어를 복사하여 사용하시면 됩니다.
- 中文 을 입력하시려면 zhongwen을 입력하시고 space를누르시면됩니다.
- 北京 을 입력하시려면 beijing을 입력하시고 space를 누르시면 됩니다.
RISS 인기검색어
- 검색키워드
- 저자 : Naramoto, H. (검색결과 3 건)
- 무료
- 기관 내 무료
- 유료
-
Avramov, Paul,Kuzubov, Alexander A.,Kuklin, Artem V.,Lee, Hyosun,Kovaleva, Evgenia A.,Sakai, Seiji,Entani, Shiro,Naramoto, Hiroshi,Sorokin, Pavel B. American Chemical Society 2017 The Journal of physical chemistry A Vol.121 No.3
<P>The structure of the interfaces and the mechanisms of induced spin polarization of 1D infinite and finite narrow graphene- and h-BN zigzag nanoribbons placed on a SrO-terminated La1-xSrxMnO3 (LSMO) (001) surface were studied using density functional theory (DFT) electronic structure calculations. It was found that the pi-conjugated nanofragments are bonded to the LSMO(001) surface by weak disperse interactions. The types of coordination of the fragments, the strength of bonding, and the rate of spin polarization depend upon the nature of the fragments. Infinite and finite graphene narrow zigzag nanoribbons are characterized by the lift of the spin degeneracy and strong spin polarization caused by interface-induced structural asymmetry and oxygen-mediated indirect exchange interactions with Mn ions of LSMO support. Spin polarization changes the semiconducting nature of infinite graphene nanoribbons to half-metallic state with visible spin-up density of states at the Fermi level. The h-BN nanoribbon binding energy is weaker than graphene nanoribbon ones with noticeably shorter interlayer distance. The asymmetry effect and indirect exchange interactions cause spin polarization of h-BN nanoribbon as well with formation of embedded states inside the band gap. The results show a possibility to use one-atom thick nanofragments to design LSMO-based heterostructures for spintronic nanodevices with h-BN as an inert spacer to develop different potential barriers.</P>
-
Ohtomo, M.,Yamauchi, Y.,Sun, X.,Kuzubov, A.,Mikhaleva, N.,Avramov, P.,Entani, S.,Matsumoto, Y.,Naramoto, H.,Sakai, S. Royal Society of Chemistry 2017 Nanoscale Vol.9 No.6
<P>We report the structural analysis and spin-dependent band structure of hydrogenated boron nitride adsorbed on Ni(111). The atomic displacement studied by using the normal incidence X-ray standing wave (NIXSW) technique supports the H-B(fcc):N(top) model, in which hydrogen atoms are site-selectively chemisorbed on boron atoms and N atoms remain on top of Ni atoms. The distance between the Ni plane and nitrogen plane did not change after hydrogenation, which implies that the interaction between Ni and N is 3d-pi orbital mixing (donation and back-donation) even after hydrogenation of boron. The remaining pi* peaks in near-edge X-ray absorption fine structure (NEXAFS) spectra are a manifestation of the rehybridization of sp(2) into sp(3) states, which is consistent with the N-B-N bonding angle derived from NIXSW measurement. The SPMDS measurement revealed the spin asymmetry appearing on hydrogenated h-BN, which was originated from a p related orbital with back donation from the Ni 3d state. Even though the atomic displacement is reproduced by the density functional theory (DFT) calculation with the H-B(fcc):N(top) model, the experimental spin-dependent band structure was not reproduced by DFT possibly due to the self-interaction error (SIE). These results reinforce the site-selective hydrogenation of boron and pave the way for efficient design of BN nanomaterials for hydrogen storage.</P>
-
Kuklin, Artem V.,Kuzubov, Alexander A.,Kovaleva, Evgenia A.,Lee, Hyosun,Sorokin, Pavel B.,Sakai, Seiji,Entani, Shiro,Naramoto, Hiroshi,Avramov, Paul Elsevier 2017 Journal of magnetism and magnetic materials Vol.440 No.-
<P><B>Abstract</B></P> <P>Induced spin polarization of π-conjugated carbon and <I>h</I>-BN low dimensional fragments at the interfaces formed by deposition of pentacene molecule and narrow zigzag graphene and <I>h</I>-BN nanoribbons on MnO<SUB>2</SUB>-terminated LSMO(001) thin film was studied using GGA PBE+U PAW D3-corrected approach. Induced spin polarization of π-conjugated low-dimensional fragments is caused by direct exchange with Mn ions of LSMO(001) MnO-derived surface. Due to direct exchange, the pentacene molecule changes its diamagnetic narrow-band gap semiconducting nature to the ferromagnetic semiconducting state with 0.15eV energy shift between spin-up and spin-down valence bands and total magnetic moment of 0.11μ<SUB>B</SUB>. Direct exchange converts graphene nanoribbon to 100% spin-polarized half-metal with large amplitude of spin-up electronic density at the Fermi level. The direct exchange narrows the <I>h</I>-BN nanoribbon band gap from 4.04 to 1.72eV in spin-up channel and converts the <I>h</I>-BN ribbon semiconducting diamagnetic nature to a semiconducting magnetic one. The electronic structure calculations demonstrate a possibility to control the spin properties of low-dimensional π-conjugated carbon and <I>h</I>-BN fragments by direct exchange with MnO-derived LSMO(001) surface for spin-related applications.</P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>
연관 검색어 추천
이 검색어로 많이 본 자료
활용도 높은 자료
