Tuning of Energy Band Gaps in Ternary Semiconductors

Abstract:

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The first principle investigations on electronic structure of ABC2 (A = Cd; B = Si, Ge, Sn; C= P, As) pnictides using the Tight Binding Linear Muffin Tin Orbital (TB-LMTO) method within the Atomic Sphere Approximation (ASA) is reported. Variation of Eg with pressure reveals the direct and pseudodirect natures of these compounds. CdSiP2 shows a pseudo direct and CdGeP2, CdSnP2, CdSiAs2, CdGeAs2 and CdSnAs2 show direct band gap natures. Semiconductor to metal transition at high pressures is observed. Metallisation volumes (V/Vo) m and pressures (Pm), bulk modulus (Bo) and its pressure derivative (Bo 1) are reported. Correlation connecting Bo and the unit cell volume (Vo) is established.

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Periodical:

Edited by:

S. J. CHUA, J. H. TENG, O. WADA, R. DE LA RUE and X. H. TANG

Pages:

164-166

DOI:

10.4028/www.scientific.net/AMR.31.164

Citation:

R. John "Tuning of Energy Band Gaps in Ternary Semiconductors", Advanced Materials Research, Vol. 31, pp. 164-166, 2008

Online since:

November 2007

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