2004
DOI: 10.1107/s0108767304095601
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Structural aspects of the metal–insulator transition in BaVS3

Abstract: This study presents structural transitions of the one dimensional system BaVS 3 at low temperature by means of high resolution synchrotron powder diffraction. At room temperature the structure is hexagonal (P6 3 /mmc) with face sharing VS 6 octahedral chains along the c axis separated by Ba atoms leading to a V-V intrachain distance of 2.808(1)Å and an interchain distance 6.714(1)Å.The hexagonal structure at room temperature becomes orthorhombic (Cmc2 1 ) at 240K with a V straight chains transformed into unifo… Show more

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“…Materials that bear the ABX structure are continuously studied due to their novel properties, which have potential applications, for example MOSFET (metal-oxide-semiconductor field-effect transistor) device fabrication [ 1 ]. One member of this family is barium vanadium sulfide (BaVS ), which has unique electronic properties such as metal-insulator transition [ 2 , 3 , 4 , 5 , 6 ], “bad metal” behavior [ 7 ], magnetic field induced structural transition [ 8 ], charge density waves (CDW) [ 5 ] and paramagnetic-antiferromagnetic phase transition [ 9 ]. It is experimentally [ 2 , 3 , 4 , 5 , 6 ] and theoretically [ 10 , 11 ] verified that the barium vanadium sulfide (BaVS ) has an orthorhombic to monoclinic structural transition during the metal-insulator (MI) phase transition at a temperature of approximately K. The given structural transition relates to an extensive regime of one-dimensional lattice fluctuations.…”
Section: Introductionmentioning
confidence: 99%
“…Materials that bear the ABX structure are continuously studied due to their novel properties, which have potential applications, for example MOSFET (metal-oxide-semiconductor field-effect transistor) device fabrication [ 1 ]. One member of this family is barium vanadium sulfide (BaVS ), which has unique electronic properties such as metal-insulator transition [ 2 , 3 , 4 , 5 , 6 ], “bad metal” behavior [ 7 ], magnetic field induced structural transition [ 8 ], charge density waves (CDW) [ 5 ] and paramagnetic-antiferromagnetic phase transition [ 9 ]. It is experimentally [ 2 , 3 , 4 , 5 , 6 ] and theoretically [ 10 , 11 ] verified that the barium vanadium sulfide (BaVS ) has an orthorhombic to monoclinic structural transition during the metal-insulator (MI) phase transition at a temperature of approximately K. The given structural transition relates to an extensive regime of one-dimensional lattice fluctuations.…”
Section: Introductionmentioning
confidence: 99%