Cubic phase MgxZn1-x O/MgO multilayer heterostructures （c-Mgx Zn1-xO/MgO MHs） are grown on Si（100） and quartz substrates by reactive electron beam evaporation at low temperature （250℃）. Cross-sectional morpholo...Cubic phase MgxZn1-x O/MgO multilayer heterostructures （c-Mgx Zn1-xO/MgO MHs） are grown on Si（100） and quartz substrates by reactive electron beam evaporation at low temperature （250℃）. Cross-sectional morphology observations by field-emission scanning electron microscopy show the legible interfaces of c-MgxZn1-x O/MgO MHs. X-ray diffraction demonstrates that c-MgxZn1-xO/MgO MHs are of highly （100）-oriented. Optical trans- mission investigations of c-Mgx Zn1-x O/MgO MHs on quartz substrates reveal the coexistence of the two phases, c-MgxZn1-xO and MgO. Photoluminescence examination indicates the emergence of deep-ultraviolet emission centred at about 290nm along with the blue shift of the ultraviolet emission from 405nm to 39Gnm when the nominal thickness of c-MgxZn1-xO well layers of MHs is diminished to 3nm, which is probably originated from quantum confinement effect.展开更多
The full potential linear muffin-tin orbital (FP-LMTO) method was applied to study the structural and electronic properties of the compounds MgO, ZnO and their alloy MgxZn1–xO in the zincblende and NaCl structures. R...The full potential linear muffin-tin orbital (FP-LMTO) method was applied to study the structural and electronic properties of the compounds MgO, ZnO and their alloy MgxZn1–xO in the zincblende and NaCl structures. Results are obtained using the local density approximation (LDA), the ground-state properties like lattice constant and bulk modulus obtained agree very well with experimental and other theoretical calculations. The effect of composition on lattice constant from Vegard’s law and the bulk modulus was investigated. The microscopic origins of the gap bowing were explained by using the approach of Zunger and co-workers. It is concluded that the energy band gap bowing is primarily due to chemical charge-transfer effect. Contribution of volume deformation and structural relaxation to the gap bowing parameter is found to be very small.展开更多
基金Supported by the National Natural Science Foundation of China under Grant No 50472058.
文摘Cubic phase MgxZn1-x O/MgO multilayer heterostructures （c-Mgx Zn1-xO/MgO MHs） are grown on Si（100） and quartz substrates by reactive electron beam evaporation at low temperature （250℃）. Cross-sectional morphology observations by field-emission scanning electron microscopy show the legible interfaces of c-MgxZn1-x O/MgO MHs. X-ray diffraction demonstrates that c-MgxZn1-xO/MgO MHs are of highly （100）-oriented. Optical trans- mission investigations of c-Mgx Zn1-x O/MgO MHs on quartz substrates reveal the coexistence of the two phases, c-MgxZn1-xO and MgO. Photoluminescence examination indicates the emergence of deep-ultraviolet emission centred at about 290nm along with the blue shift of the ultraviolet emission from 405nm to 39Gnm when the nominal thickness of c-MgxZn1-xO well layers of MHs is diminished to 3nm, which is probably originated from quantum confinement effect.
文摘The full potential linear muffin-tin orbital (FP-LMTO) method was applied to study the structural and electronic properties of the compounds MgO, ZnO and their alloy MgxZn1–xO in the zincblende and NaCl structures. Results are obtained using the local density approximation (LDA), the ground-state properties like lattice constant and bulk modulus obtained agree very well with experimental and other theoretical calculations. The effect of composition on lattice constant from Vegard’s law and the bulk modulus was investigated. The microscopic origins of the gap bowing were explained by using the approach of Zunger and co-workers. It is concluded that the energy band gap bowing is primarily due to chemical charge-transfer effect. Contribution of volume deformation and structural relaxation to the gap bowing parameter is found to be very small.
