Effect of doping on electronic properties of HgSe

Journal Article · Mon May 23 00:00:00 EDT 2016 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4948005· OSTI ID:22608762

Nag, Abhinav; Kumar, Jagdish ^[1]

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1. Department of Physics & Astronomical Sciences, Central University of Himachal Pradesh, Himachal Pradesh (India)

First principle study of electronic properties of pure and doped HgSe have been performed using all electron Full Potential Linearized Augmented Plane Wave (FP-LAPW) method using ELK code. The electronic exchange and co-relations are considered using Generalized Gradient Approach (GGA). Lattice parameter, Density of States (DOS) and Band structure calculations have been performed. The total energy curve (Energy vs Lattice parameter), DOS and band structure calculations are in good agreement with the experimental values and those obtained using other DFT codes. The doped material is studied within the Virtual Crystal Approximation (VCA) with doping levels of 10% to 25% of electrons (hole) per unit cell. Results predict zero band gap in undopedHgSe and bands meet at Fermi level near the symmetry point Γ. For doped HgSe, we found that by electron (hole) doping, the point where conduction and valence bands meet can be shifted below (above) the fermi level.

• OSTI ID: 22608762
• Journal Information: AIP Conference Proceedings, Vol. 1731, Issue 1; Conference: DAE solid state physics symposium 2015, Uttar Pradesh (India), 21-25 Dec 2015; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
APPROXIMATIONS
COMPUTERIZED SIMULATION
CRYSTALS
DENSITY FUNCTIONAL METHOD
DENSITY OF STATES
DOPED MATERIALS
ELECTRONS
FERMI LEVEL
LATTICE PARAMETERS
MERCURY SELENIDES
MICROSTRUCTURE
N-TYPE CONDUCTORS
P-TYPE CONDUCTORS
SYMMETRY
VALENCE
WAVE PROPAGATION