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- W2497918557 abstract "단층 <TEX>$MoS_2$</TEX>는 1H 상을 가질 때 에너지적으로 가장 안정하다고 알려져 있지만, 전자선 등을 이용하여 에너지를 가하면 1T 상으로 상전이를 일으킬 수 있다. 1T 상도 1H 상과 마찬가지로 상자성 상태가 에너지적으로 안정하지만 1H <TEX>$MoS_2$</TEX>에 국소적인 1T 상이 존재하는 구조는 자성을 가질 수 있음을 알았다. 본 연구에서 도입한 (<TEX>$2{times}2$</TEX>) 초격자에 2H와 1T가 3 : 1의 비율로 존재하는 국소 1T 구조 일 때 계산된 자기모멘트는 약 <TEX>$0.049{mu}_B/MoS_2$</TEX>이었으며, 초격자 내의 1T 환경의 Mo 원자가 대부분의 자기모멘트를 기여하는 것으로 나타났다. 따라서 단층 <TEX>$MoS_2$</TEX> 내에 자연스러운 자성/비자성 경계가 생성되므로 단층 <TEX>$MoS_2$</TEX>가 스핀트로닉스 소자로 응용 가능할 것으로 기대한다. Monolayer <TEX>$MoS_2$</TEX> is energetically most stable when it has a 1H phase, but 1H to 1T phase transition (<TEX>$1H{rightarrow}1T$</TEX>) is easily realized by various ways. Even though magnetic moment is not observed during <TEX>$1H{rightarrow}1T$</TEX>, <TEX>$0.049{mu}_B/MoS_2$</TEX> is obtained in local 1T phase; 75% 2H and 25% 1T phases are mixed in (<TEX>$2{times}2$</TEX>) supercell. Most magnetic moment is originated from the 1T phase Mo atom in the supercell, while the magnetic moments of other atoms are negligible. As a result, magnetic/non-magnetic boundary is created in the monolayered <TEX>$MoS_2$</TEX>. Our result suggests that <TEX>$MoS_2$</TEX> can be applied for spintronics such as a spin transistor." @default.
- W2497918557 created "2016-08-23" @default.
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- W2497918557 date "2016-06-30" @default.
- W2497918557 modified "2023-09-26" @default.
- W2497918557 title "First-principles Calculations on Magnetism of 1H/1T Boundary in Monolayer MoS2" @default.
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- W2497918557 doi "https://doi.org/10.4283/jkms.2016.26.3.071" @default.
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