Free-Electron Interlayer States in Pure and Li-Intercalated Graphite

1982 ◽  
Vol 20 ◽  
Author(s):  
M. Posternak ◽  
A. Baldereschi ◽  
A.J. Freeman ◽  
E. Wimmer ◽  
M. Weinert
Keyword(s):  
Fermi Energy ◽  
Free Electron ◽  
Energy Band ◽  
Lower Energy ◽  
First Principle ◽  
Electron States ◽  
Intercalated Graphite

ABSTRACTFirst–principle SCF–FLAPW calculations prove the existence in graphite of a new kind of electron states. They are interlayer states, resulting from the bonding combination of states bound to single graphite layers, and give rise to a still undetected energy band just above the Fermi energy. This band also occurs at slightly lower energy in Li intercalated graphite, and has been incorrectly interpreted as arising mainly from Li 2s orbitals.

scholarly journals Modulation of nearly free electron states in hydroxyl-functionalized MXenes: a first-principles study

2020 ◽  
Vol 8 (15) ◽  
pp. 5211-5221 ◽  
Author(s):  
Jiaqi Zhou ◽  
Mohammad Khazaei ◽  
Ahmad Ranjbar ◽  
Vei Wang ◽  
Thomas D. Kühne ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Free Electron ◽  
Chemical Characteristics ◽  
Two Dimensional ◽  
Metal Carbides ◽  
Electron States ◽  
Transition Metal Carbides ◽  
Physical And Chemical Characteristics ◽  
Physical And Chemical

Two-dimensional transition metal carbides and nitrides (named as MXenes) and their functionalized ones exhibit various physical and chemical characteristics.

EFFECT OF SYNTHESIS REACTION TIME AND DOPING ON UV/VIS ABSORPTION OF POLYENE COATING

2017 ◽  
Vol 79 (2) ◽  
Author(s):  
Mohd Nurazzi Norizan ◽  
Rahmah Mohamed
Keyword(s):  
Reaction Time ◽  
Band Gap ◽  
Energy Band ◽  
Lower Energy ◽  
Control Sample ◽  
Reaction Times ◽  
Energy Band Gap ◽  
Lower Energy Band ◽  
Dechlorination Reaction ◽  
Absorbance Spectra

Absorbance spectra and energy band gap of synthesizing polyene from dechlorination of polyvinyl chloride (PVC) with varying synthesizing reaction times and doping percentages were examined in this paper. The reaction time of dechlorination was varied from 30 minutes, 1 hour, 2 hours and 4 hours. Polyene obtained from the dechlorination reaction was doped with potassium iodide (KI). Sample for UV/Vis test was prepared in the form of film. Modified EO film as control sample showed that there is only a single absorption peak around 327nm. The C-Cl adsorption band link from source link polymer was observed at 422nm and all polyene film samples and new bands absorption were observed from 422nm to 590nm, and 683nm upon the increase in reaction time. The lower energy band gap was observed at 683.18nm absorption with 1.08eV.    

Magnetic Spin Susceptibility of AsF5-Intercalated Graphite: Determination of the Density of States at the Fermi Energy

1978 ◽  
Vol 41 (20) ◽  
pp. 1417-1421 ◽  
Author(s):  
B. R. Weinberger ◽  
J. Kaufer ◽  
A. J. Heeger ◽  
J. E. Fischer ◽  
M. Moran ◽  
...  
Keyword(s):  
Density Of States ◽  
Fermi Energy ◽  
Spin Susceptibility ◽  
Intercalated Graphite ◽  
Magnetic Spin

Three-Dimensional Energy Band in Graphite and Lithium-Intercalated Graphite

1983 ◽  
Vol 51 (5) ◽  
pp. 430-433 ◽  
Author(s):  
Th. Fauster ◽  
F. J. Himpsel ◽  
J. E. Fischer ◽  
E. W. Plummer
Keyword(s):  
Energy Band ◽  
Three Dimensional ◽  
Intercalated Graphite

scholarly journals Two-extremum electrostatic potential of metal-lattice plasma and the work function of an electron

2015 ◽  
Vol 33 (2) ◽  
pp. 430-444 ◽  
Author(s):  
S.A. Surma ◽  
J. Brona ◽  
A. Ciszewski
Keyword(s):  
Work Function ◽  
Electrostatic Potential ◽  
Fermi Energy ◽  
Free Electron ◽  
Chemical Potential ◽  
Electron Work Function ◽  
Crystalline Lattice ◽  
Phase System ◽  
Free Electron Density ◽  
Metal Lattice

AbstractMetal-lattice plasma is treated as a neutral two-component two-phase system of 2D surface and 3D bulk. Free electron density and bulk chemical potential are used as intensive parameters of the system with the phase boundary position determined in the crystalline lattice. A semiempirical expression for the electron screened electrostatic potential is constructed using the lattice-plasma polarization concept. It comprises an image term and three repulsion/attraction terms of second and fourth orders. The novel curve has two extremes and agrees with certain theoretical forms of potential. A practical formula for the electron work function of metals and a simplified schema of electronic structure at the metal/vacuum interface are proposed. This yields 10.44 eV for the Fermi energy of free electron gas; -5.817 eV for the Fermi energy level; 4.509 eV for the average work function of bcc tungsten. Selected data are also given for fcc Cu and hcp Re. For harmonic frequencies ~ 10E16 per s of the self-excited metal-lattice plasma, energy gaps of 14.54 and 8.02 eV are found, which correspond to the bulk and surface plasmons, respectively. Further extension of this thermodynamics and metal-lattice theory based approach may contribute to a better understanding of theoretical models which are employed in chemical physics, catalysis and materials science of nanostructures.

The Magneto Electron Statistics in Heavily Doped N Type-Intrinsic-P Type-Intrinsic Structures

2021 ◽  
Vol 21 (12) ◽  
pp. 6183-6187
Author(s):  
P. K. Das ◽  
J. Pal ◽  
M. Debbarma ◽  
K. P. Ghatak
Keyword(s):  
Magnetic Field ◽  
Band Structure ◽  
Electron Concentration ◽  
Fermi Energy ◽  
Energy Band ◽  
Electronic Materials ◽  
Numerical Magnitudes ◽  
Heavily Doped ◽  
Quantizing Magnetic Field ◽  
P Type

In this paper we study the Electron Statistics in Heavily Doped N Type-Intrinsic-P Type-Intrinsic structures of non-linear optical, tetragonal and opto-electronic materials in the presence of magnetic quantization. It is found taking such heavily doped structures of Cd3As2, CdGeAs2, InAs, InSb, Hg1−xCdxTe, In1−xGaxAsyP1−y as examples that the Fermi energy (EF) oscillates with inverse quantizing magnetic field (1/B) and increases with increasing electron concentration with different numerical magnitudes which is the signature of respective band structure. The numerical value of the Fermi energy is different in different cases due to the different values of the energy band constants.

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