Ab initio study of electronic density of state and photoabsorption of Ga1-xMnxAs under pressure

作者：Pluengphon Prayoonsak^*; Bovornratanaraks Thiti; Vannarat Sornthep; Pinsook Udomsilp

来源：Solid State Communications, 2015, 202: 19-23.

DOI：10.1016/j.ssc.2014.10.016

Ab initio calculation based on density functional theory was performed for studying high-pressure effects on the electronic properties and photoabsorption of Ga1-xMnxAs. Mn atom was substituted into the varied GaAs super cells, which observed the Mn concentrations at 3.70%, 8.33% and 12.50%. In zinc blende phase of Ga1-xMnxAs, we found that the effects of Mn on GaAs in the pressure range 0-10 GPa are the reducing of band gap, generating of impurity peak and increasing of photoabsorption coefficient. The impurity peaks in Ga1-xMnxAs decrease under pressure increasing because the carriers were excited to conduction band by the effect of bond lengths reducing. The tendency of absorption coefficient of Ga1-xMnxAs in range of light-wavelength depends on size of impurity peak.

• 出版日期2015-1