• Title/Summary/Keyword: Density functional calculation

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First Principles Calculations on Magnetism of CrPt3(001) Thin Films (CrPt3(001) 박막의 자성: 제일원리계산)

  • Jeong, Tae Sung;Jekal, Soyoung;Rhim, S.H.;Hong, S.C.
    • Journal of the Korean Magnetics Society
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    • v.27 no.2
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    • pp.41-48
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    • 2017
  • Recent study shows that ordered alloy of $L1_2$ $XPt_3$ (M = V, Cr, Mn, Co, and Fe) exhibits various magnetic phases such as ferromagnetic-to-antiferromagnetic transition at the $MnPt_3$ surface. Moreover, it has been argued that $CrPt_3$, in particular, possess large magnetocrystalline anisotropy and Kerr rotation with possible violation of Hund's rule. As such, we extend our work to thickness dependence of the magnetic structure of $CrPt_3$ thin film using density functional theory. Magnetic ground state of the bulk $CrPt_3$ turns out to be ferromagnetic (FM), where other magnetic phases such as A-type (A-AF), C-type (C-AF), and G-type antiferromagnetic (G-AF) state have higher total energies than FM by 0.517, 0.591, and 0.183 eV, respectively, and magnetic moments of Cr in bulk are respectively 2.807 (FM), 2.805 (A-AF), 2.794 (C-AF) and $2.869_{{\mu}_B}$ (G-AF). We extend our study to $CrPt_3$(001) thin films with CrPt-and Pt-termination. The thickness and surface-termination dependences of magnetism are investigated for 3-9 monolayers (ML), where different magnetic phases from bulk emerge: C-AF for CrPt-terminated 3 ML and G-AF for Pt-terminated 5 ML have energy difference relative to FM by 8 and 54 meV, respectively. Furthermore, thickness- and surface-termination-dependent magnetocrystalline anisotropies of the $CrPt_3$(001) films are discussed.

Recommendation of the Amount of Nitrogen Top Dressing based on Soil Nitrate Nitrogen Content for Leaf Perilla (Perilla frutescens) under the Plastic Film House (토양 질산태질소 함량에 따른 시설 잎들깨 질소 웃거름시비량 추천)

  • Kang, Seong-Soo;Lee, Ju-Young;Sung, Jwa-Kyung;Gong, Hyo-Young;Jung, Hyung-Jin;Park, Chang-Hwan;Yun, Yeo-Uk;Kim, Myung-Sook;Kim, Yoo-Hak
    • Korean Journal of Soil Science and Fertilizer
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    • v.44 no.6
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    • pp.1112-1117
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    • 2011
  • This study was conducted to recommend nitrogen (N) top dressing based on soil nitrate content for leaf perilla under forcing culture in Gumsan-gun and Milyang-si. Experimental design was the randomized complete block design for five N fertilization levels and conventional fertilization. Dry weight, nitrogen uptake, and the node number of leaf perilla were measured and soil nitrate contents were analyzed monthly. The amount of nitrogen uptake for growth of a node with two leaves was $2.2kg\;10a^{-1}$ for Gumsan site and $3.5kg\;10a^{-1}$ for Milyang site. Lower level of soil nitrate N concentration for standard N fertilization was determined as $10mg\;kg^{-1}$ for both sites. Soil depth, bulk density, utilization rate of soil nitrate N, and the amount of N uptake for growth of a node with two leaves were considered for calculation of upper level of soil nitrate N concentration. The upper levels of soil nitrate N concentration for no N fertilization were determined as $30mg\;kg^{-1}$ for Gumsan site and as $40mg\;kg^{-1}$ for Milyang site. Consequently the recommendation equations for the N top dressing were Y=-0.157X+4.71 for Gumsan site and Y=-0.1667X+6.6667 for Milyang site.