Charge-density studies of transition metal sulfides
نویسندگان
چکیده
منابع مشابه
Transition metal catalyzed synthesis of aryl sulfides.
The presence of aryl sulfides in biologically active compounds has resulted in the development of new methods to form carbon-sulfur bonds. The synthesis of aryl sulfides via metal catalysis has significantly increased in recent years. Historically, thiolates and sulfides have been thought to plague catalyst activity in the presence of transition metals. Indeed, strong coordination of thiolates ...
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Induced charge-density (ICD) oscillations at the Cu(111) surface caused by an external impurity are studied within linear response theory. The calculation takes into account such properties of the Cu(111) surface electronic structure as an energy gap for three-dimensional (3D) bulk electrons and a s − pz surface state that forms two-dimensional (2D) electron system. It is demonstrated that the ...
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An unexpected feature common to 2H transition metal dichalcogenides ( 2H TMDs) is revealed with a first-principles Wannier function analysis of the electronic structure of the prototype 2H TaSe2: The low-energy Ta "5d(z2)" bands governing the physics of a charge-density wave (CDW) is dominated by hopping between next-nearest neighbors. With this motivation we develop a minimal effective model f...
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The charge density wave (CDW) is usually associated with Fermi surfaces nesting. We here report a new CDW mechanism discovered in a 2H-structured transition metal dichalcogenide, where the two essential ingredients of the CDW are realized in very anomalous ways due to the strong-coupling nature of the electronic structure. Namely, the CDW gap is only partially open, and charge density wave vect...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 1996
ISSN: 0108-7673
DOI: 10.1107/s0108767396085741