{"title":"动能驱动的双晶格双交换:过渡金属化合物中磁性交换的一般机制。","authors":"Tanusri Saha-Dasgupta, Koushik Pradhan","doi":"10.1088/1361-648X/ad841a","DOIUrl":null,"url":null,"abstract":"<p><p>One of the most important phenomena in magnetism is the exchange interaction between magnetic centres. In this topical review, we focus on the exchange mechanism in transition-metal compounds and establish kinetic-energy-driven two-sublattice double-exchange as a general mechanism of exchange, in addition to well-known mechanisms like superexchange and double exchange. This mechanism, which was first proposed (Sarma<i>et al</i>2000<i>Phys. Rev. Lett.</i><b>85</b>2549), in the context of Sr<sub>2</sub>FeMoO<sub>6</sub>, a double-perovskite compound, later found to describe a large number of 3d and 4d or 5d transition metal-based double perovskites. The magnetism in multi-sublattice magnetic systems like double-double and quadrupolar perovskites involving 3d and 4d or 5d transition-metal ions have also been found to be governed by this as a primary mechanism of exchange. For example, the numerical solution of a two-sublatice double exchange with additional superexchange couplings for the FeRe-based double double and quadrupolar perovskites are found to reproduce the experimentally observed magnetic ground state as well as the high transition temperature of above 500 K. The applicability of this general mechanism extends beyond the perovskite crystal structures, and oxides, as demonstrated for the pyrochlore oxide, Tl<sub>2</sub>Mn<sub>2</sub>O<sub>7</sub>and the square-net chalcogenides KMnX<sub>2</sub>(X = S, Se, Te). The counter-intuitive doping dependence and pressure effect of magnetic transition temperature in Tl<sub>2</sub>Mn<sub>2</sub>O<sub>7</sub>is explained, while KMnX<sub>2</sub>(X = S, Se, Te) compounds are established as half-metallic Chern metals guided by two sublattice double exchange. While the kinetic energy-driven two-site double-exchange mechanism was originally proposed to explain ferromagnetism, a filling-dependent transition can lead to a rare situation of the antiferromagnetic metallic ground state, as found in La-doped Sr<sub>2</sub>FeMoO<sub>6</sub>, and proposed for computer predicted double perovskites Sr(Ca)<sub>2</sub>FeRhO<sub>6</sub>. This opens up a vast canvas to explore.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3000,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Kinetic energy driven two-sublattice double-exchange: a general mechanism of magnetic exchange in transition metal compounds.\",\"authors\":\"Tanusri Saha-Dasgupta, Koushik Pradhan\",\"doi\":\"10.1088/1361-648X/ad841a\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>One of the most important phenomena in magnetism is the exchange interaction between magnetic centres. In this topical review, we focus on the exchange mechanism in transition-metal compounds and establish kinetic-energy-driven two-sublattice double-exchange as a general mechanism of exchange, in addition to well-known mechanisms like superexchange and double exchange. This mechanism, which was first proposed (Sarma<i>et al</i>2000<i>Phys. Rev. Lett.</i><b>85</b>2549), in the context of Sr<sub>2</sub>FeMoO<sub>6</sub>, a double-perovskite compound, later found to describe a large number of 3d and 4d or 5d transition metal-based double perovskites. The magnetism in multi-sublattice magnetic systems like double-double and quadrupolar perovskites involving 3d and 4d or 5d transition-metal ions have also been found to be governed by this as a primary mechanism of exchange. For example, the numerical solution of a two-sublatice double exchange with additional superexchange couplings for the FeRe-based double double and quadrupolar perovskites are found to reproduce the experimentally observed magnetic ground state as well as the high transition temperature of above 500 K. The applicability of this general mechanism extends beyond the perovskite crystal structures, and oxides, as demonstrated for the pyrochlore oxide, Tl<sub>2</sub>Mn<sub>2</sub>O<sub>7</sub>and the square-net chalcogenides KMnX<sub>2</sub>(X = S, Se, Te). The counter-intuitive doping dependence and pressure effect of magnetic transition temperature in Tl<sub>2</sub>Mn<sub>2</sub>O<sub>7</sub>is explained, while KMnX<sub>2</sub>(X = S, Se, Te) compounds are established as half-metallic Chern metals guided by two sublattice double exchange. While the kinetic energy-driven two-site double-exchange mechanism was originally proposed to explain ferromagnetism, a filling-dependent transition can lead to a rare situation of the antiferromagnetic metallic ground state, as found in La-doped Sr<sub>2</sub>FeMoO<sub>6</sub>, and proposed for computer predicted double perovskites Sr(Ca)<sub>2</sub>FeRhO<sub>6</sub>. 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引用次数: 0
摘要
磁学中最重要的现象之一是磁性中心之间的交换相互作用。在这篇专题综述中,我们重点讨论了过渡金属化合物中的交换机制,并将动能驱动的双亚晶格双交换确立为除了超交换和双交换等众所周知的机制之外的一种通用交换机制。这种机制最初是在 Sr$_2$FeMoO$_6$ 这种
double-perovskite 化合物的背景下提出的 [Phys.人们还发现,涉及 3d 和 4d 或 5d 过渡金属离子的
多亚晶格磁性系统(如双双极和四极包晶)中的磁性也受此作为主要交换机制的支配。
例如,对基于 FeRe 的双倍双极和四极包晶石的双亚晶格双交换
和额外的超交换耦合进行数值求解,发现可以再现实验观察到的磁基态以及高于 500 K 的高转变温度
。这种一般机制的适用范围超出了
perovskite 晶体结构和氧化物,这一点在热长石氧化物 Tl$_2$Mn$_2$O$_7$ 和方形网状氢化物 KMnX$_2$ (X=S、Se、Te)中得到了证明。解释了 Tl$_2$Mn$_2$O$_7$ 中磁性转变温度的反直觉掺杂依赖性和压力效应,同时将 KMnX$_2$ (X=S、Se、Te)化合物确立为由两个亚晶格双交换引导的半金属 Chern 金属。虽然动能驱动的双晶格双交换机制最初是为了解释铁磁性而提出的,
但依赖于填充的转变可以导致罕见的反铁磁性金属基态,正如在掺 La 的 Sr$_2$FeMoO$_6$ 中发现的那样,并在计算机预测的双过氧化物 Sr(Ca)$_2$FeRhO$_6$ 中提出的那样。这为我们开辟了广阔的探索空间。
Kinetic energy driven two-sublattice double-exchange: a general mechanism of magnetic exchange in transition metal compounds.
One of the most important phenomena in magnetism is the exchange interaction between magnetic centres. In this topical review, we focus on the exchange mechanism in transition-metal compounds and establish kinetic-energy-driven two-sublattice double-exchange as a general mechanism of exchange, in addition to well-known mechanisms like superexchange and double exchange. This mechanism, which was first proposed (Sarmaet al2000Phys. Rev. Lett.852549), in the context of Sr2FeMoO6, a double-perovskite compound, later found to describe a large number of 3d and 4d or 5d transition metal-based double perovskites. The magnetism in multi-sublattice magnetic systems like double-double and quadrupolar perovskites involving 3d and 4d or 5d transition-metal ions have also been found to be governed by this as a primary mechanism of exchange. For example, the numerical solution of a two-sublatice double exchange with additional superexchange couplings for the FeRe-based double double and quadrupolar perovskites are found to reproduce the experimentally observed magnetic ground state as well as the high transition temperature of above 500 K. The applicability of this general mechanism extends beyond the perovskite crystal structures, and oxides, as demonstrated for the pyrochlore oxide, Tl2Mn2O7and the square-net chalcogenides KMnX2(X = S, Se, Te). The counter-intuitive doping dependence and pressure effect of magnetic transition temperature in Tl2Mn2O7is explained, while KMnX2(X = S, Se, Te) compounds are established as half-metallic Chern metals guided by two sublattice double exchange. While the kinetic energy-driven two-site double-exchange mechanism was originally proposed to explain ferromagnetism, a filling-dependent transition can lead to a rare situation of the antiferromagnetic metallic ground state, as found in La-doped Sr2FeMoO6, and proposed for computer predicted double perovskites Sr(Ca)2FeRhO6. This opens up a vast canvas to explore.
期刊介绍:
Journal of Physics: Condensed Matter covers the whole of condensed matter physics including soft condensed matter and nanostructures. Papers may report experimental, theoretical and simulation studies. Note that papers must contain fundamental condensed matter science: papers reporting methods of materials preparation or properties of materials without novel condensed matter content will not be accepted.