Metal mono-chalcogenides ZnX and CdX (X = S, Se and Te) monolayers: Chemical bond and optical interband transitions by first principles calculations

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• 作者：Mandana Safari^a ; Zohreh Izadi^a ; Jaafar Jalilian^a ; ^{jaafarjalilian@gmail.com} ; Iftikhar Ahmad^b ; ^c ; Saeid Jalali-Asadabadi^d
• 关键词：Metal mono-chalcogenide ; Optical transition ; Chemical bond ; Energy band gap ; Absorption spectrum
• 刊名：Physics Letters A
• 出版年：2017
• 出版时间：12 February 2017
• 年：2017
• 卷：381
• 期：6
• 页码：663-670
• 全文大小：1843 K
• 卷排序：381

文摘

Band gap type is affected by bond formation mechanism such as different energy values of bonding orbitals in different compounds. It is concluded that the band gap nature of CdSe, CdTe, ZnSe and ZnTe transforms from direct to indirect. Optically active nature in bulk phase changes into optically inactive nature in monolayer phase apart from CdS and ZnS.