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15 Aug 2011

Volume 99, Issue 7, Articles (07xxxx)

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Appl. Phys. Lett. 99, 073701 (2011); http://dx.doi.org/10.1063/1.3599706 (3 pages)

Miguel A. Santiago-Cordoba, Svetlana V. Boriskina, Frank Vollmer, and Melik C. Demirel
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Influence of tetragonal distortion on the topological electronic structure of the half-Heusler compound LaPtBi from first principles

X. M. Zhang, W. H. Wang, E. K. Liu, G. D. Liu, Z. Y. Liu, and G. H. Wu

Appl. Phys. Lett. 99, 071901 (2011); http://dx.doi.org/10.1063/1.3625946 (3 pages) | Cited 4 times

Online Publication Date: 15 August 2011

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The electronic structures of tetragonally distorted half-Heusler compound LaPtBi in the C1b structure are investigated in the framework of density functional theory using the full potential linearized augmented plane with local spin density approximation method. The calculation results show that both the band structures and the Fermi level can be tuned by using either compressive or tensile in-plane strain. A large bulk band gap of 0.3 eV can be induced through the application of a compressive in-pane strain in LaPtBi with the assumption of a relaxed volume of the unit cell. Our results could serve as a guidance to realize topological insulators in half-Heusler compounds by strain engineering.
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71.20.Gj Other metals and alloys
71.15.Ap Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.)
71.15.Mb Density functional theory, local density approximation, gradient and other corrections

Effect of free-carrier concentration on the phase transition and vibrational properties of VO2

M. Nazari, Changhong Chen, A. A. Bernussi, Z. Y. Fan, and M. Holtz

Appl. Phys. Lett. 99, 071902 (2011); http://dx.doi.org/10.1063/1.3626032 (3 pages) | Cited 3 times

Online Publication Date: 16 August 2011

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The effects of native defect doping concentration on the phase transition properties of vanadium dioxide thin films are investigated. The onset temperature of the metal-insulator transition is found to depend on the free-carrier concentration and to correlate with an abrupt change in the temperature dependence of the vibrational energies of the V-O related Raman band. A phase diagram is proposed identifying insulating, intermediate, and conducting regimes. The intermediate region is attributed to a mixed phase.
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71.30.+h Metal-insulator transitions and other electronic transitions
72.60.+g Mixed conductivity and conductivity transitions
73.61.Le Other inorganic semiconductors
78.30.Hv Other nonmetallic inorganics
78.66.Li Other semiconductors
81.30.Bx Phase diagrams of metals, alloys, and oxides
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