Characterization of the Fermi surface of (BEDO-TTF)5[CsHg(SCN)4]2 by magnetoresistance measurements and tight-binding band structure calculations

2002 ◽  
Vol 12 (3) ◽  
pp. 483-488 ◽  
Author(s):  
Rustem B. Lyubovskii ◽  
Serguei I. Pesotskii ◽  
Marc Gener ◽  
Roger Rousseau ◽  
Enric Canadell ◽  
...  
Keyword(s):  
Band Structure ◽  
Fermi Surface ◽  
Tight Binding ◽  
Band Structure Calculations ◽  
Structure Calculations

scholarly journals Fermi surface of the skutterudite CoSb3 : Quantum oscillations and band-structure calculations

2021 ◽  
Vol 103 (8) ◽  
Author(s):  
M. Naumann ◽  
P. Mokhtari ◽  
Z. Medvecka ◽  
F. Arnold ◽  
M. Pillaca ◽  
...  
Keyword(s):  
Band Structure ◽  
Fermi Surface ◽  
Quantum Oscillations ◽  
Band Structure Calculations ◽  
Structure Calculations

A Model Photoemission Calculations Using Projection Operator Method

2003 ◽  
Vol 17 (15) ◽  
pp. 2897-2902
Author(s):  
B. Zoliana ◽  
Zaithanzauva Pachuau ◽  
Lalthakimi Zadeng ◽  
R. K. Thapa ◽  
P. K. Patra ◽  
...  
Keyword(s):  
Group Theory ◽  
Band Structure ◽  
Projection Operator ◽  
Surface States ◽  
Operator Method ◽  
Band Structure Calculations ◽  
Projection Operator Method ◽  
Structure Calculations ◽  
Bulk Band

We have shown in this report the application of projection operator method of group theory in deriving the wavefunctions for the surface state in Cu(110) which had been used in calculating photocurrent. This approach gives a qualitative characterization of surface states simply on the basis of existing bulk-band structure calculations.

TaFe1.14Te3, A New Low-Dimensional Ternary Tantalum Telluride

1993 ◽  
Vol 48 (6) ◽  
pp. 797-811 ◽  
Author(s):  
Jörg Neuhausen ◽  
Elisabeth Potthoff ◽  
Wolfgang Tremel ◽  
Jürgen Ensling ◽  
Philipp Gütlich ◽  
...  
Keyword(s):  
Transition Metals ◽  
Band Structure ◽  
Tight Binding ◽  
Monoclinic Space Group ◽  
Antiferromagnetic Ordering ◽  
Band Structure Calculations ◽  
Metal Atoms ◽  
Low Dimensional ◽  
Structure Calculations ◽  
Tetrahedral Voids

TaFe1.14Te3 is obtained from the elements in sealed quartz ampoules at 600°C. It crystallizes in the monoclinic space group P21/m with a = 7.4262(8), b = 3.6374(5), c = 9.9925(5) Å, and β = 109.166(8)°. The structure is built up from TaFeTe3 layers. Fe atoms with fractional occupancy are situated at the Te surfaces of the TaFeTe3 slabs giving rise to a 3 D connectivity of the TaFeTe3 layers in space. TaFe1.14Te3 exhibits metallic properties and shows an antiferromagnetic ordering at 215 K. Tight-binding band structure calculations show that Fe–Fe and Ta–Fe interactions are important for the electronic stability of TaFe1.14Te3; replacing Fe by more electron-rich transition metals such as Co or Ni may lead to compounds of composition TaM2Te3. A possible structure is derived from that of TaFe1.14Te3 by filling tetrahedral voids within the TaMTe3 layers with additional 3d metal atoms.

PHYSICAL PROPERTIES OF AuAl2, AuGa2, AuIn2, AND PtGa2

1994 ◽  
Vol 08 (21n22) ◽  
pp. 1297-1318 ◽  
Author(s):  
LI-SHING HSU
Keyword(s):  
Thin Film ◽  
Optical Properties ◽  
Band Structure ◽  
Physical Properties ◽  
Fermi Level ◽  
Density Of States ◽  
Band Structure Calculations ◽  
Structure Calculations ◽  
Film Form

The structural, electronic, magnetic, and optical properties of AuAl 2, AuGa 2, AuIn 2, and PtGa2 are reviewed. These experimental results are compared with the values of the density of states at the Fermi level derived from band-structure calculations. The so-called “ AuGa 2 dilemma” and the controversial positions of the Au 5d bands in AuAl 2, AuGa 2, and AuIn 2 are discussed. The physical properties of PtGa 2 are summarized and compared with those of the Au intermetallic compounds. Recent researches on the growth and characterization of these compounds in thin-film form are also presented.

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