1.
First-Principles Studies and Design of One-Dimensional Nanomaterials
一维纳米材料的第一原理研究与设计
2.
First-principles Density-functional Study of the Field Emission Properties of Carbon Nanotubes;
碳纳米管场发射性质的第一原理研究
3.
First-principles Calculation on the Dielectric Properties of Si_3N_4 and BN;
Si_3N_4和BN介电性质的第一原理计算
4.
First-principles Study of Mg, H Doped ZnO
Mg、H掺杂ZnO的第一原理研究
5.
First Principles Calculation of Helium in Titanium Crystals
He原子在金属Ti中的第一性原理计算
6.
Frist-Principle Calculation and Ferroelectric Properties of PZT;
PZT第一性原理计算及其铁电性能研究
7.
First-Principles Investigation on the Structures and Properties of LiMnO_2 System;
LiMnO_2体系结构与性能的第一性原理研究
8.
First Principle Predictions of High Density Phases of BC_2N and B_2CN;
BC_2N和B_2CN高密度相的第一性原理预测
9.
First-Principles Calculations for Properties of ZrB_2 Compound under High Pressure;
高压下ZrB_2物性的第一性原理计算
10.
First-Principles Calculations for Physics Properties of Pu、NaCl and SrO;
Pu、NaCl和SrO的物性的第一性原理计算
11.
The First-principle Calculation of Physical Properties under High Pressure;
高压下NaI物性的第一性原理计算
12.
First-Principles Calculations for Properties of AlB_2 Compound under High Pressure;
高压下AlB_2物性的第一性原理计算
13.
First Principles Study of γ-Si_3N_4 Materials;
γ-Si_3N_4材料第一性原理研究
14.
First-principles Study of Si_(3-x)C_xN_4 Hardness Materials;
超硬材料Si_（3-x）C_xN_4的第一性原理研究
15.
The First Principle Research of Infrared Photonelectric Material PbS;
红外光电材料PbS的第一性原理研究
16.
The First-principles of AlN Based Diluted Magnetic Semiconductors;
AlN基稀磁半导体的第一性原理计算
17.
The First-Principles Study of Electronic Structure and Properties of ZnO;
ZnO电子结构与属性的第一性原理研究
18.
First Principle Studies on the Electronic Structure and Magnetic Properties of the Molecule Magnets;
分子磁性材料物性的第一性原理研究