4.8 Article

Phase Transition across Anisotropic NbS3 and Direct Gap Semiconductor TiS3 at Nominal Titanium Alloying Limit

Journal

ADVANCED MATERIALS
Volume 32, Issue 17, Pages -

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/adma.202000018

Keywords

2D materials; alloys; crystal growth; material synthesis; quantum materials

Funding

  1. National Science Foundation [DMR 1904716, DMR 1933214, DMR-1955889, DMR 1552220] Funding Source: Medline
  2. NSF [DMR 1552220, DMR 1904716, DMR 1933214, DMR-1955889] Funding Source: Medline
  3. Army Research Office [W911NF1810381] Funding Source: Medline
  4. Materials Program Funding Source: Medline
  5. Texas Advanced Computing Center [TG-DMR170070] Funding Source: Medline
  6. Arizona State University Funding Source: Medline
  7. U.S. Department of Defense (DOD) [W911NF1810381] Funding Source: U.S. Department of Defense (DOD)

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Alloying selected layered transitional metal trichalcogenides (TMTCs) with unique chain-like structures offers the opportunities for structural, optical, and electrical engineering thus expands the regime of this class of pseudo-one-dimensional materials. Here, the novel phase transition in anisotropic Nb(1-x)TixS3 alloys is demonstrated for the first time. Results show that Nb(1-x)TixS3 can be fully alloyed across the entire composition range from triclinic-phase NbS3 to monoclinic-phase TiS3. Surprisingly, incorporation of a small concentration of Ti (x approximate to 0.05-0.18) into NbS3 host matrix is sufficient to induce triclinic to monoclinic transition. Theoretical studies suggest that Ti atoms effectively introduce hole doping, thus rapidly decreases the total energy of monoclinic phase and induces the phase transition. When alloyed, crystalline and optical anisotropy are largely preserved as evidenced by high resolution transmission electron microscopy and angle-resolved Raman spectroscopy. Further Raman measurements identify Raman modes to determine crystalline anisotropy direction and offer insights into the degree of anisotropy. Overall results introduce Nb(1-x)TixS3 as a new and easy phase change material and mark the first phase engineering in anisotropic van der Waals (vdW) trichalcogenide systems for their potential applications in two-dimensional superconductivity, electronics, photonics, and information technologies.

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