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- W3098713043 abstract "Recently, a group of MAX phases, (Mo$_{2/3}$Y$_{1/3}$)$_2$AlC, (Mo$_{2/3}$Sc$_{1/3}$)$_2$AlC, (W$_{2/3}$Sc$_{1/3}$)$_2$AlC, (W$_{2/3}$Y$_{1/3}$)$_2$AlC, and (V$_{2/3}$Zr$_{1/3}$)$_2$AlC, with in-plane ordered double transition metals, named iMAX phases, have been synthesized. Experimentally, some of these MAX phases can be chemically exfoliated into two-dimensional (2D) single- or multilayered transition metal carbides, so-called MXenes. Accordingly, the 2D nanostructures derived from iMAX phases are named iMXenes. Here, we investigate the structural stabilities and electronic structures of the experimentally discovered iMAX phases and their possible iMXene derivatives. We show that the iMAX phases and their pristine, F, or OH-terminated iMXenes are metallic. However, upon O termination, (Mo$_{2/3}$Y$_{1/3}$)$_2$C, (Mo$_{2/3}$Sc$_{1/3}$)$_2$C, (W$_{2/3}$Y$_{1/3}$)$_2$C, and (W$_{2/3}$Sc$_{1/3}$)$_2$C iMXenes turn into semiconductors. Owing to the absence of centrosymmetry, the semiconducting iMXenes may find applications in piezoelectricity. Our calculations reveal that the semiconducting iMXenes possess giant piezoelectric coefficients as large as 45$times10^{-10}$~C/m." @default.
- W3098713043 created "2020-11-23" @default.
- W3098713043 creator A5005966345 @default.
- W3098713043 creator A5019635489 @default.
- W3098713043 creator A5031135009 @default.
- W3098713043 creator A5031295145 @default.
- W3098713043 creator A5048160827 @default.
- W3098713043 creator A5065217658 @default.
- W3098713043 date "2018-07-12" @default.
- W3098713043 modified "2023-09-30" @default.
- W3098713043 title "Electronic structures of iMAX phases and their two-dimensional derivatives: A family of piezoelectric materials" @default.
- W3098713043 cites W159517764 @default.
- W3098713043 cites W1597841398 @default.
- W3098713043 cites W1620375412 @default.
- W3098713043 cites W1626120570 @default.
- W3098713043 cites W1637727845 @default.
- W3098713043 cites W1784263311 @default.
- W3098713043 cites W1833113982 @default.
- W3098713043 cites W1850204827 @default.
- W3098713043 cites W1855075826 @default.
- W3098713043 cites W1914570026 @default.
- W3098713043 cites W1971649721 @default.
- W3098713043 cites W1974008195 @default.
- W3098713043 cites W1975229624 @default.
- W3098713043 cites W1981368803 @default.
- W3098713043 cites W1981729886 @default.
- W3098713043 cites W1982133696 @default.
- W3098713043 cites W1988898438 @default.
- W3098713043 cites W1989554193 @default.
- W3098713043 cites W1994444120 @default.
- W3098713043 cites W1997860731 @default.
- W3098713043 cites W2007395042 @default.
- W3098713043 cites W2010971702 @default.
- W3098713043 cites W2014451195 @default.
- W3098713043 cites W2022405597 @default.
- W3098713043 cites W2025033219 @default.
- W3098713043 cites W2025936561 @default.
- W3098713043 cites W2036113194 @default.
- W3098713043 cites W2036208941 @default.
- W3098713043 cites W2052303011 @default.
- W3098713043 cites W2066666085 @default.
- W3098713043 cites W2072150052 @default.
- W3098713043 cites W2083490209 @default.
- W3098713043 cites W2083921686 @default.
- W3098713043 cites W2085093563 @default.
- W3098713043 cites W2118155987 @default.
- W3098713043 cites W2141804595 @default.
- W3098713043 cites W2164870624 @default.
- W3098713043 cites W2206837932 @default.
- W3098713043 cites W2228415515 @default.
- W3098713043 cites W2260519725 @default.
- W3098713043 cites W2261680338 @default.
- W3098713043 cites W2309284609 @default.
- W3098713043 cites W2323701493 @default.
- W3098713043 cites W2328726371 @default.
- W3098713043 cites W2335373519 @default.
- W3098713043 cites W2338599487 @default.
- W3098713043 cites W2342121241 @default.
- W3098713043 cites W2343240592 @default.
- W3098713043 cites W2410231004 @default.
- W3098713043 cites W2416108250 @default.
- W3098713043 cites W2417755365 @default.
- W3098713043 cites W2430749271 @default.
- W3098713043 cites W2460051650 @default.
- W3098713043 cites W2473241528 @default.
- W3098713043 cites W2484050530 @default.
- W3098713043 cites W2502839947 @default.
- W3098713043 cites W2507597753 @default.
- W3098713043 cites W2510292900 @default.
- W3098713043 cites W2513384023 @default.
- W3098713043 cites W2520314439 @default.
- W3098713043 cites W2520602079 @default.
- W3098713043 cites W2522125346 @default.
- W3098713043 cites W2529090114 @default.
- W3098713043 cites W2530940848 @default.
- W3098713043 cites W2549598533 @default.
- W3098713043 cites W2553018443 @default.
- W3098713043 cites W2563556731 @default.
- W3098713043 cites W2565050787 @default.
- W3098713043 cites W2566202566 @default.
- W3098713043 cites W2573259790 @default.
- W3098713043 cites W2574394697 @default.
- W3098713043 cites W2576128628 @default.
- W3098713043 cites W2577185773 @default.
- W3098713043 cites W2581419937 @default.
- W3098713043 cites W2584088932 @default.
- W3098713043 cites W2588350539 @default.
- W3098713043 cites W2592921844 @default.
- W3098713043 cites W2594945388 @default.
- W3098713043 cites W2601118093 @default.
- W3098713043 cites W2604226379 @default.
- W3098713043 cites W2608124667 @default.
- W3098713043 cites W2610143332 @default.
- W3098713043 cites W2610583468 @default.
- W3098713043 cites W2616995170 @default.
- W3098713043 cites W2625318116 @default.
- W3098713043 cites W2732829215 @default.
- W3098713043 cites W2738142465 @default.
- W3098713043 cites W2741151368 @default.
- W3098713043 cites W2745589619 @default.