Linear optical properties of defective KDP with oxygen vacancy: First-principles calculations

Chen Xin^a),^b),^c), Zhao Qian-Qian^a),^b), Wang Xiao-Chun†^a),^b), Chen Jun^d), Ju Xin^e)

(a)–(d) PDOS of perfect KDP, (d)–(h) PDOS of KDP with oxygen vacancy. O1, O2, and O3 correspond to the oxygen atom in Fig. 1 . The Fermi energy level sets at 0 eV.