We design two new layered indium halide compounds LaOInF_(2)and LaOInCl_(2)by means of first-principles calculations and evolutionary crystal structure prediction.We find both compounds crystallize in a tetragonal str...We design two new layered indium halide compounds LaOInF_(2)and LaOInCl_(2)by means of first-principles calculations and evolutionary crystal structure prediction.We find both compounds crystallize in a tetragonal structure with P4/nmm space group and have indirect band gaps of 2.58 eV and 3.21 eV,respectively.By substituting O with F,both of them become metallic and superconducting at low temperature.The F-doping leads to strong electron-phonon coupling in the low-energy acoustic phonon modes which is mainly responsible for the induced superconductivity.The total electron-phonon coupling strength are 1.86 and 1.48,while the superconducting transition temperature(T_(c))are about 7.2 K and 6.5 K with 10%and 5%F doping for LaOInF_(2)and LaOInCl_(2),respectively.展开更多
We conducted a comparative study of the magnetic and transport properties of single-crystalline LaCo_(2)As_(2) and NdCo_(2)As_(2).LaCo_(2)As_(2) is a soft metallic ferromagnet which exhibits purely intrinsic anomalous...We conducted a comparative study of the magnetic and transport properties of single-crystalline LaCo_(2)As_(2) and NdCo_(2)As_(2).LaCo_(2)As_(2) is a soft metallic ferromagnet which exhibits purely intrinsic anomalous Hall effect(AHE) due to Co-3d electrons. With Nd-4f electronic magnetism, ferrimagnetic NdCo_(2)As_(2) manifests pronounced sign reversal and multiple hysteresis loops in temperature-and field-dependent magnetization, Hall resistivity, and magnetoresistance, due to complicated magnetic structural changes. We reveal that the AHE for NdCo_(2)As_(2) is stemming from the Co sub-lattice and deduce its phase diagram which includes magnetic compensation and two meta-magnetic phase transitions. The sensitivity of the Hall effect on the details of the magnetic structures in ferrimagnetic NdCo_(2)As_(2) provides a unique opportunity to explore the magnetic interaction between 4f and 3d electrons and its impact on the electronic structure.展开更多
基金supported by the Fundamental Research Funds for the Central Universities(Grant No.2243300003)the National Natural Science Foundation of China(Grant No.12074041)the Fundamental Research Program of Shanxi Province,China(Grant No.202203021222228).The calculations were carried out with high performance computing cluster of Beijing Normal University in Zhuhai.
文摘We design two new layered indium halide compounds LaOInF_(2)and LaOInCl_(2)by means of first-principles calculations and evolutionary crystal structure prediction.We find both compounds crystallize in a tetragonal structure with P4/nmm space group and have indirect band gaps of 2.58 eV and 3.21 eV,respectively.By substituting O with F,both of them become metallic and superconducting at low temperature.The F-doping leads to strong electron-phonon coupling in the low-energy acoustic phonon modes which is mainly responsible for the induced superconductivity.The total electron-phonon coupling strength are 1.86 and 1.48,while the superconducting transition temperature(T_(c))are about 7.2 K and 6.5 K with 10%and 5%F doping for LaOInF_(2)and LaOInCl_(2),respectively.
基金Project supported by the National Key Research and Development Program of China(Grant No.2018YFB1502502)the National Natural Science Foundation of China(Grant Nos.12141002 and 12225401)+6 种基金the Fund from Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratorysupported by the Interdisciplinary Program of Wuhan National High Magnetic Field Center(Grant No.WHMFC202123)Huazhong University of Science and Technologysupported by the National Natural Science Foundation of China(Grant Nos.12074041 and 11674030)the Foundation of the National Key Laboratory of Shock Wave and Detonation Physics(Grant No.6142A03191005)the National Key Research and Development Program of China(Grant No.2016YFA0302300)the startup funding of Beijing Normal University。
文摘We conducted a comparative study of the magnetic and transport properties of single-crystalline LaCo_(2)As_(2) and NdCo_(2)As_(2).LaCo_(2)As_(2) is a soft metallic ferromagnet which exhibits purely intrinsic anomalous Hall effect(AHE) due to Co-3d electrons. With Nd-4f electronic magnetism, ferrimagnetic NdCo_(2)As_(2) manifests pronounced sign reversal and multiple hysteresis loops in temperature-and field-dependent magnetization, Hall resistivity, and magnetoresistance, due to complicated magnetic structural changes. We reveal that the AHE for NdCo_(2)As_(2) is stemming from the Co sub-lattice and deduce its phase diagram which includes magnetic compensation and two meta-magnetic phase transitions. The sensitivity of the Hall effect on the details of the magnetic structures in ferrimagnetic NdCo_(2)As_(2) provides a unique opportunity to explore the magnetic interaction between 4f and 3d electrons and its impact on the electronic structure.
