scholarly journals Band structure parameters of the nitrides: The origin of the small band gap of InN

2005 ◽  
Author(s):  
Pierre Carrier
Keyword(s):  
Band Structure ◽  
Band Gap ◽  
Structure Parameters ◽  
Small Band

scholarly journals Thermoelectric properties of Sn-doped p-type Cu3SbSe4: a compound with large effective mass and small band gap

2014 ◽  
Vol 2 (33) ◽  
pp. 13527-13533 ◽  
Author(s):  
Tian-Ran Wei ◽  
Heng Wang ◽  
Zachary M. Gibbs ◽  
Chao-Feng Wu ◽  
G. Jeffrey Snyder ◽  
...  
Keyword(s):  
Band Structure ◽  
Band Gap ◽  
Effective Mass ◽  
Thermoelectric Properties ◽  
Deformation Potential ◽  
Small Band ◽  
P Type

Sn-doped Cu3SbSe4 with enhanced zT possesses a large effective mass, small band gap and moderate deformation potential with a complex band structure.

scholarly journals A first-principle study on the electronic properties of substitutionally Cu (I, II)-doped LiNbO3

2018 ◽  
Vol 08 (01) ◽  
pp. 1820002 ◽  
Author(s):  
Xiaobin Liu ◽  
Wenxiu Que ◽  
Yucheng He ◽  
Huanfu Zhou
Keyword(s):  
Band Structure ◽  
Band Gap ◽  
Electronic Properties ◽  
First Principles ◽  
Density Functional ◽  
First Principles Calculations ◽  
Density Of State ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Small Band

The electronic properties of Cu-doped lithium niobate (LiNbO3) systems are investigated by first-principles calculations. In this work, we focus on substitutionally Cu[Formula: see text]Li-doped LiNbO3 system with cuprous and cupric doping, which corresponds to the Li[Formula: see text]Cu[Formula: see text]NbO3 and Li[Formula: see text]Cu[Formula: see text]NbO3 [abbreviated as (Li, Cu I)NbO3 and (Li, Cu II)NbO3]. The density functional theory (DFT) calculations show that the electronic property of LiNbO3 is completely different from (Li, Cu I)NbO3 and (Li, Cu II)NbO3. The calculated band structure and density of state (DOS) of (Li, Cu I)NbO3 show a small band gap of 1.34[Formula: see text]eV and the top of valance band (VB) is completely composed of a doping energy level originating from Cu 3d filled orbital. However, the calculated band structure and DOS of (Li, Cu II)NbO3 show a relatively large band gap of 2.22[Formula: see text]eV and the top of VB is mainly composed of Cu 3d unfilled orbital and O 2p orbital.

INTERBAND OPTICAL CONDUCTIVITY OF Bi2CaSr2Cu2O8

1989 ◽  
Vol 03 (03) ◽  
pp. 263-269 ◽  
Author(s):  
W.Y. CHING ◽  
G.L. ZHAO ◽  
Y.N. XU ◽  
K.W. WONG
Keyword(s):  
Band Structure ◽  
Band Gap ◽  
Linear Combination ◽  
Optical Conductivity ◽  
The Body ◽  
Strong Anisotropy ◽  
Atomic Orbitals ◽  
Plasmon Frequency ◽  
Small Band

The band structure and interband optical conductivity of Bi 2 CaSr 2 Cu 2 O 8 superconductor in the body-centered tetragonal sub-unit is calculated self-consistently using orthogonalized linear combination of atomic orbitals method. The result shows Bi 2 CaSr 2 Cu 2 O 8 has both semi-metal-like and semiconductor-like features with small band gap and band overlap. The interband optical conductivity shows strong anisotropy between the in-plane and z-direction components. A plasmon frequency at 6 eV is predicted.

scholarly journals Synthesis, Characterization and Pressure Effect on Structural and Mechanical Properties of MgBi2O6: Solid-State Route and DFT Study

2020 ◽  
pp. 71-86
Keyword(s):  
Mechanical Properties ◽  
Optical Properties ◽  
Solid State ◽  
Band Structure ◽  
Band Gap ◽  
Structure Analysis ◽  
Solid State Route ◽  
Tetragonal Crystal ◽  
Small Band ◽  
Uv Visible

Here we have prepared good quality crystalline sample MgBi2O6 employing the solid-state reaction technique. The synthesized material was characterized by XRD and SEM (scanning electron microscopy). The structural study confirmed that MgBi2O6 possesses a tetragonal crystal configuration (JCPDS PDF#, No. 86-2492) with outstanding crystallinity and a grain size between 200 to 350 nm. The temperature dependence electrical resistivity and conductivity were measured by two probe methods and ensured the semiconducting nature of this material. Using the impedance analyzer and UV-visible spectrophotometer we studied the experimental electronic and optical properties of this material. To explore the hypothetical features of MgBi2O6 we have used first-principles methods that depend on CASTEP code. The band structure analysis also ensured the semiconducting nature of MgBi2O6 with a small band gap of 0.12 eV. The semiconducting behavior of MgBi2O6 with a band gap of 0.12 eV was also observed by the band structure analysis. The Born’s stability criteria were fulfilled by the investigated elastic constants and ensured the stable nature of MgBi2O6. The response of structural and mechanical properties with the pressure of MgBi2O6 was discussed in detail. We have also studied the hypothetical optical properties of MgBi2O6 by CASTEP code.

Partially Anion-Ordered Cerium Niobium Oxynitride Perovskite Phase with a Small Band Gap

2021 ◽  
Author(s):  
Zonghao Shen ◽  
Ji Wu ◽  
Matthew W. Shorvon ◽  
Guillaume Cazaux ◽  
Stephen C. Parker ◽  
...  
Keyword(s):  
Band Gap ◽  
Perovskite Phase ◽  
Small Band

A small bandgap (3E,7E)-3,7-bis(2-oxoindolin-3-ylidene)benzo[1,2-b:4,5-b′]difuran-2,6(3H,7H)-dione (IBDF) based polymer semiconductor for near-infrared organic phototransistors

2017 ◽  
Vol 5 (46) ◽  
pp. 12163-12171 ◽  
Author(s):  
Yinghui He ◽  
Jesse T. E. Quinn ◽  
Dongliang Hou ◽  
Jenner H.L. Ngai ◽  
Yuning Li
Keyword(s):  
Band Gap ◽  
Near Infrared ◽  
Infrared Light ◽  
Near Infrared Light ◽  
Polymer Semiconductor ◽  
Donor Acceptor ◽  
Small Band

A novel small bandgap donor–acceptor polymer with a very small band gap of 0.95 eV shows promising photoresponse under near infrared light in phototransistors.

Band Structure and Thermoelectric Properties of Ni(x)Zn(1-x)Fe2O4

2021 ◽  
Vol 317 ◽  
pp. 28-34
Author(s):  
Joon Hoong Lim
Keyword(s):  
Thermal Conductivity ◽  
Electrical Conductivity ◽  
Band Structure ◽  
Seebeck Coefficient ◽  
Band Gap ◽  
Thermoelectric Properties ◽  
Xrd Analysis ◽  
Valence Band Maximum ◽  
Solid State Method ◽  
Ni Content

Thermoelectric materials has made a great potential in sustainable energy industries, which enable the energy conversion from heat to electricity. The band structure and thermoelectric properties of Ni(x)Zn(1-x)Fe2O4 have been investigated. The bulk pellets were prepared from analytical grade ZnO, NiO and Fe2O3 powder using solid-state method. It was possible to obtain high thermoelectric properties of Ni(x)Zn(1-x)Fe2O4 by controlling the ratios of dopants and the sintering temperature. XRD analysis showed that the fabricated samples have a single phase formation of cubic spinel structure. The thermoelectric properties of Ni(x)Zn(1-x)Fe2O4 pellets improved with increasing Ni. The electrical conductivity of Ni(x)Zn(1-x)Fe2O4 pellets decreased with increasing Ni content. The electrical conductivity of Ni(x)Zn(1-x)Fe2O4 (x = 0.0) is (0.515 x10-3 Scm-1). The band structure shows that ZnxCu1-xFe2O4 is an indirect band gap material with the valence band maximum (VBM) at M and conduction band minimum (CBM) at A. The band gap of Ni(x)Zn(1-x)Fe2O4 increased with increasing Ni content. The increasing band gap correlated with the lower electrical conductivity. The thermal conductivity of Ni(x)Zn(1-x)Fe2O4 pellets decreased with increasing Ni content. The presence of Ni served to decrease thermal conductivity by 8 Wm-1K-1 over pure samples. The magnitude of the Seebeck coefficient for Ni(x)Zn(1-x)Fe2O4 pellets increased with increasing amounts of Ni. The figure of merit for Ni(x)Zn(1-x)Fe2O4 pellets and thin films was improved by increasing Ni due to its high Seebeck coefficient and low thermal conductivity.

Large Positive Thermal Expansion and Small Band Gap in Double-ReO3-Type Compound NaSbF6

2017 ◽  
Vol 56 (9) ◽  
pp. 4990-4995 ◽  
Author(s):  
C. Yang ◽  
B. Y. Qu ◽  
S. S. Pan ◽  
L. Zhang ◽  
R. R. Zhang ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Band Gap ◽  
Type Compound ◽  
Small Band
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