Investigation of new superhard carbon allotropes with promising electronic properties

Journal Article · Thu Nov 14 00:00:00 EST 2013 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4829002· OSTI ID:22257784

Kvashnina, Yulia A.; Kvashnin, Alexander G. ^[1]

---

1. Technological Institute for Superhard and Novel Carbon Materials, 7a Centralnaya Street, Troitsk, Moscow 142190 (Russian Federation)

During the systematic search for a new superhard carbon allotrope, we predicted three structures with promising physical properties. Our electronic structure calculations show that these materials have a semiconducting band gap and a high carrier mobility comparable with diamond. The simulated x-ray diffraction patterns of the proposed materials are in a good agreement with the experimental X-ray spectra. Evaluated phase transition pressures from graphite to the new proposed carbon phases are smaller than 25 GPa and close to the experimental values.

• OSTI ID: 22257784
• Journal Information: Journal of Applied Physics, Vol. 114, Issue 18; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
CARRIER MOBILITY
DIAMONDS
ELECTRONIC STRUCTURE
GRAPHITE
PHASE TRANSFORMATIONS
PHYSICAL PROPERTIES
SIMULATION
SOCIO-ECONOMIC FACTORS
X-RAY DIFFRACTION
X-RAY SPECTRA