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中文摘要：
作为功能材料的重要结构载体，含有过渡金属的类钙钛矿物质在铁电、超导、磁性及其耦合产生的新效应上具有极广阔的应用前景，成为近期材料、物理、化学研究领域重要交叉前沿。本项目将重点利用高压极端条件，在展宽的压力～温度～组分范围，围绕含过渡金属的六配位八面体基元设计和研制新型类钙钛矿功能材料。运用高压合成优势调控六配位八面体基元的组装方式，通过改变容许因子t和氧压，研制在常压不能得到的类钙钛矿亚稳物质。结合第一性原理计算，预测、研究和认识新物质的磁、电特性及其耦合效应，寻求具有功能导向晶态新体系。结合同步辐射和中子衍射等大科学装置表征功能基元及组装的演化，研究结构和物性的关联，揭示新材料奇异磁电物性的电子结构起源。研究压力、温度、磁等外场对物质作用，认识体系物性演化规律，建立相应调控和优化机制。在此基础之上，提炼高压极端条件形成类钙钛矿物质规律，为合成具有特定和优异磁电性能新材料提供科学指导。
英文摘要：
Perovskite-ike functional novel materials；synthesis and tuning at high pressure；the first principle studies；；
结论摘要：
本项目研究工作主要集中开展了新型类钙钛矿量子功能材料的高压高温研制、功能特性的压力调控、以及高压奇异物性的结构起源的研究，发现了新的量子功能和压力调控规律，在钙钛矿类巡游磁性的结构关联、钙钛矿多铁性材料、层状和复合钙钛矿多形体结构演化等研究上取得了重要进展。发表SCI论文80余篇，授权发明专利3项，国际国内会议邀请报告30个，主办了第6届亚洲高压会议、新型高压量子材料与纪念国际年国际研讨会议和极端条件晶体材料国际研讨会，培养博士生10余名等。
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期刊论文
Pressure-decoupled magnetic and structural transitions of the parent compound of iron-based 122 supe
Local structural distortion and electrical transport properties of Bi(Ni1/2Ti1/2)O-3 perovskite unde
Pressure Effect on the Structural Transition and Suppression of the High-Spin State in the Triple La
Polarization-dependent soft X-ray absorption of over-doped superconducting Sr2CuO3 + δ single crysta
Observation of Strong-Coupling Pairing with Weakened Fermi-Surface Nesting at Optimal Hole Doping in
Small and nearly isotropic hole-like Fermi surfaces in LiFeAs detected through de Haas-van Alphen ef
Pressure-Induced Phase Transitions and Correlation between Structure and Superconductivity in Iron-B
Origin of ferromagnetism and oxygen-vacancy ordering induced cross-controlled magnetoelectric effect
Pressure dependence of the superconducting transition temperature of the filled skutterudite YFe4P12
High-pressure synthesis of the BaIrO3 perovskite: A Pauli paramagnetic metal with a Fermi liquid gro
Microscopic origin of stereochemically active lone pair formation from orbital selective external po
Tuning the Jeff = 12 insulating state via electron doping and pressure in the double-layered iridate
(Sr, Na)( Zn, Mn)(2)As-2: A diluted ferromagnetic semiconductor with the hexagonal CaAl2Si2 type str
Suppression of T-C by overdoped Li in the diluted ferromagnetic semiconductor Li1+y(Zn1-xMnx)P: A mu
Tunable magnetic transition and reversible magnetocaloric effects at room temperature in transition-
The synthesis and characterization of 1111-type diluted magnetic semiconductors (La1-xSrx)(Zn1-xTMx)
Reversible tuning of the collapsed tetragonal phase transition in CaFe2As2 by separate control of ch
Non-Fermi Liquid Behavior Close to a Quantum Critical Point in a Ferromagnetic State without Local M
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