Doping dependence of electronic and mechanical properties of GaSe 1-xTex and Ga1-xInxSe from first principles

Physical Review B - Condensed Matter and Materials Physics

Volumn 82, Issue 15, 2010, Pages

  Rak, Zs ^a,d   Mahanti, S D ^a   Mandal, Krishna C ^b   Fernelius, N C ^c  

^a MICHIGAN STATE UNIVERSITY   (United States)

^b The Department of Mechanical Engineering   (United States)

^c AIR FORCE RESEARCH LABORATORY   (United States)

^d UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 78149246709     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.82.155203     Document Type: Article

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52. The formation energy of neutral In interstitial defect is underestimated in our calculation since one electron/defect occupies the bottom of the conduction band instead of the defect state (which is resonant in the CB), and the LDA gap is 0.85 eV compared to the average band gap of 1.68 eV and the experimental value of 2.13 eV.