1 Institute of High Pressure Physics, School of Physical Science and Technology, Ningbo University, Ningbo 315211, China; 2 State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China
Abstract Conventional theories expect that materials under pressure exhibit expanded valence and conduction bands, leading to increased electrical conductivity. Here, we report the electrical properties of the doped 1-TiS under high pressure by electrical resistance investigations, synchrotron x-ray diffraction, Raman scattering and theoretical calculations. Up to 70GPa, an unusual metal-semiconductor-metal transition occurs. Our first-principles calculations suggest that the observed anti-Wilson transition from metal to semiconductor at 17GPa is due to the electron localization induced by the intercalated Ti atoms. This electron localization is attributed to the strengthened coupling between the doped Ti atoms and S atoms, and the Anderson localization arising from the disordered intercalation. At pressures exceeding 30.5GPa, the doped TiS undergoes a re-metallization transition initiated by a crystal structure phase transition. We assign the most probable space group as 222. Our findings suggest that materials probably will eventually undergo the Wilson transition when subjected to sufficient pressure.
Fund: This work was supported by the National Natural Science Foundation of China (Grant No. 12304072), Program for Science and Technology Innovation Team in Zhejiang (Grant No. 2021R01004), and Natural Science Foundation of Ningbo (Grant No. 2021J121).
Corresponding Authors:
Yanping Huang, Tian Cui
E-mail: huangyanping@nbu.edu.cn;cuitian@nbu.edu.cn
Cite this article:
Jiajun Chen(陈佳骏), Xindeng Lv(吕心邓), Simin Li(李思敏), Yaqian Dan(但雅倩), Yanping Huang(黄艳萍), and Tian Cui(崔田) Unveiling the pressure-driven metal-semiconductor-metal transition in the doped TiS2 2024 Chin. Phys. B 33 067104
[1] Ma Y, Eremets M, Oganov A R, Xie Y, Trojan I, Medvedev S, Lyakhov A O, Valle M and Prakapenka V 2009 Nature 458 182 [2] Bergara A, Neaton J B and Ashcroft N W 2000 Phys. Rev. B 62 8494 [3] Dong Q, Pan J, Li S, Li C, Lin T, Liu B, Liu R, Li Q, Huang F and Liu B 2023 J. Am. Chem. Soc. 145 14581 [4] Barajas-Aguilar A H, Garay-Tapia A, Strupiechonski E, Justo-Guerrero M A, Santos-Cruz J and Jiménez-Sandoval S 2023 Adv. Theory Simul. 6 2200821 [5] Pal B, Cao Y, Liu X, Wen F, Kareev M, N’Diaye A T, Shafer P, Arenholz E and Chakhalian J 2019 Sci. Rep. 9 1896 [6] Greenaway D L and Nitsche R 1965 J. Phys. Chem. Solids 26 1445 [7] Allan D R, Kelsey A A, Clark S J, Angel R J and Ackland G J 1998 Phys. Rev. B 57 5106 [8] Thompson A H 1975 Rev. Lett. 35 1786 [9] Wang H, Qiu Z, Xia W, Ming C, Han Y, Cao L, Lu J, Zhang P, Zhang S, Xu H and Sun Y Y 2019 J. Phys. Chem. Lett. 10 6996 [10] Zhao Y, Cai W, Fang Y, Ao H, Zhu Y and Qian Y 2019 ChemElectroChem 6 2231 [11] Liu B, Yang J, Han Y, Hu T, Ren W, Liu C, Ma Y and Gao C 2011 J. Appl. Phys. 109 053717 [12] Van Bakel G P E M and De Hosson J T M 1992 Phys. Rev. B 46 2001 [13] Li S, Dong Q, Feng J, Wang Y, Hou M, Deng W, Susilo R A, Li N, Dong H, Wan S, Gao C and Chen B 2021 Inorg. Chem. 60 7857 [14] Martino E, Pisoni A, Cirić L, Arakcheeva A, Berger H, Akrap A, Putzke C, Moll P J W, Batistić I, Tutiš E, Forró L and Semeniuk K 2020 NPJ 2D Mater. Appl. 4 7 [15] Webb A W, Feldman J L, Skelton E F, Towle L C, Liu C Y and Spain I L 1976 J. Phys. Chem. Solids 37 329 [16] Chi Z H, Zhao X M, Zhang H, Goncharov A F, Lobanov S S, Kagayama T, Sakata M and Chen X J 2014 Phys. Rev. Lett. 113 036802 [17] Ying J, Paudyal H, Heil C, Chen X J, Struzhkin V V and Margine E R 2018 Phys. Rev. Lett. 121 027003 [18] Yu Y G and Ross N L 2011 J. Phys.: Condens. Matter 23 055401 [19] Zhou D, Xu Y, Bai L, Shen B, Wang X, Zou Y and Tian J 2018 J. Alloys Compd. 757 448 [20] Tang X F, Zhu S X, Liu H, Zhang C, Wu Q Y, Liu Z T, Song J J, Guo X, Wang Y S, Ma H, Zhao Y Z, Wu F Y, Liu S Y, Liu K H, Yuan Y H, Huang H, He J, Xu W, Liu H Y, Duan Y X and Meng J Q 2022 Chin. Phys. B 31 037103 [21] Rajaji V, Janaky S, Sarma S C, Peter S C and Narayana C 2019 J. Phys.: Condens. Matter 31 165401 [22] Unger W K, Reyes J M, Singh O, Curzon A E 1978 Solid State Commun. 28 109 [23] Sandoval S J, Chen X K and Irwin J C 1992 Phys. Rev. B 45 14347 [24] Li D, Qin X Y and Gu Y J 2006 Mater. Res. Bull. 41 282 [25] Sherrell P C, Sharda K, Grotta C, Ranalli J, Sokolikova M S, Pesci F M, Palczynski P, Bemmer V L and Mattevi C 2018 ACS Omega 3 8655 [26] Wilczyński K, Gertych A P and Zdrojek M 2023 J. Phys. Chem. C 127 20870
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