Novel Superstructure-Phase Two-Dimensional Material 1T-VSe2 at High Pressure.,The Journal of Physical Chemistry Letters

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Novel Superstructure-Phase Two-Dimensional Material 1T-VSe2 at High Pressure.
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2019-12-27 , DOI: 10.1021/acs.jpclett.9b03247
Raimundas Sereika _{1,

2} , Changyong Park ₃ , Curtis Kenney-Benson ₃ , Sateesh Bandaru _{4,

5} , Niall J English ₄ , Qiangwei Yin ₆ , Hechang Lei ₆ , Ning Chen ₇ , Cheng-Jun Sun ₈ , Steve M Heald ₈ , Jichang Ren ₉ , Jun Chang ₁₀ , Yang Ding ₁ , Ho-Kwang Mao _{1,

11}

Affiliation

Center for High Pressure Science and Technology Advanced Research , Beijing 100094 , China.
Vytautas Magnus University , K. Donelaičio Street 58 , Kaunas 44248 , Lithuania.
High Pressure Collaborative Access Team, X-ray Science Division , Argonne National Laboratory , Lemont , Illinois 60439 , United States.
School of Chemical and Bioprocess Engineering , University College Dublin , Belfield, Dublin 4 , Ireland.
College of Materials and Environmental Engineering, Institute for Advanced Magnetic Materials , Hangzhou Dianzi University , Hangzhou 310018 , China.
Department of Physics and Beijing Key Laboratory of Optoelectronic Functional Materials & Micro-nano Devices , Renmin University of China , Beijing 100872 , China.
Canadian Light Source , 44 Innovation Boulevard , Saskatoon , SK S7N 2V3 , Canada.
X-ray Science Division , Advanced Photon Source, Argonne National Laboratory , Lemont , Illinois 60439 , United States.
Nano and Heterogeneous Materials Center, School of Materials Science and Engineering , Nanjing University of Science and Technology , Nanjing 210094 , People's Republic of China.
College of Physics and Information Technology , Shaanxi Normal University , Xi'an 710119 , P. R. China.
Geophysical Laboratory , Carnegie Institution of Washington , Washington, D.C. 20015 , United States.

A superstructure can elicit versatile new properties in materials by breaking their original geometrical symmetries. It is an important topic in the layered graphene-like two-dimensional transition metal dichalcogenides, but its origin remains unclear. Using diamond-anvil cell techniques, synchrotron X-ray diffraction, X-ray absorption, and first-principles calculations, we show that the evolution from weak van der Waals bonding to Heisenberg covalent bonding between layers induces an isostructural transition in quasi-two-dimensional 1T-type VSe2 at high pressure. Furthermore, our results show that high pressure induces a novel superstructure at 15.5 GPa rather than suppresses it as it would normally, which is unexpected. It is driven by Fermi-surface nesting, enhanced by pressure-induced distortion. The results suggest that the superstructure not only appears in the two-dimensional structure but also can emerge in the pressure-tuned three-dimensional structure with new symmetry and develop superconductivity.

中文翻译：

高压下的新型上层相二维材料1T-VSe2。

上层建筑可以通过打破材料的原始几何对称性来激发材料的多种新特性。在层状石墨烯状二维过渡金属二卤化金属中，这是一个重要的话题，但其起源仍不清楚。使用金刚石-砧座技术，同步加速器X射线衍射，X射线吸收和第一性原理计算，我们显示了层之间从弱范德华键到海森堡共价键的演化诱导了准两分子的同构转变。尺寸1T型VSe2在高压下。此外，我们的结果表明，高压在15.5 GPa时会诱导出新的上部结构，而不是像通常那样抑制它，这是出乎意料的。它由费米表面嵌套驱动，并因压力引起的变形而增强。

更新日期：2019-12-27

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