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- :: arXiv Critical behavior of ferromagnets CrI3, CrBr3, CrGeTe3, and anti-ferromagnet FeCl2: a detailed first-principles study We calculate the Curie temperature of layered ferromagnets, chromium tri-iodide (CrI3), chromium tri-bromide (CrBr3), chromium germanium tri-telluride (CrGeTe3), and the Neel temperature of a layered anti-ferromagnet iron di-chloride (FeCl2), using first-principles density functional theory calculations and Monte-Carlo simulations. We develop a computational method to model the magnetic interactions in layered magnetic materials and calculate their critical temperature. We provide a unified method to obtain the magnetic exchange parameters (J) for an effective Heisenberg Hamiltonian from first-principles, taking into account both the magnetic ansiotropy as well as the out-of-plane interactions. We obtain the magnetic phase change behavior, in particular the critical temperature, from the susceptibility and the specific-heat, calculated using the three-dimensional Monte-Carlo (Metropolis) algorithm. The calculated Curie temperatures for ferromagnetic materials (CrI3, CrBr3 and CrGeTe3), match very well with experimental values. We show that the interlayer interaction in bulk CrI3 with R3 stacking is significantly stronger than the C2/m stacking, in line with experimental observations. We show that the strong interlayer interaction in R3 CrI results in a competition between the in-plane and the out-of-plane magnetic easy axis. Finally, we calculate the Neel temperature of FeCl2 to be 47 +- 8 K, and show that the magnetic phase transition in FeCl2 occurs in two steps with a high-temperature intralayer ferromagnetic phase transition, and a low-temperature interlayer anti-ferromagnetic phase transition.
- :: KOCW 서양철학의 전통 인간의 삶과 관련된 근본적인 문제를 다루는 철학은 모든 개별 학문의 토대를 제공하는 기초적인 역할을 해 왔다. 본 과목에서는 서양 철학의 형성과정을 주요 사상가들이 활동했던 시대의 변화와 함께 고찰함으로써, 철학이 해당시대의 문제점들을 어떻게 해결해 왔으며, 중요한 시대적 발전을 어떤 방식으로 주도해 왔는가를 밝힌다. 학생들은 이를 토대로 우리 시대의 문제점을 보다 근원적이고 포괄적인 사상사의 지평에서 관찰할 수 있는 시각을 얻을 수 있다.
- :: Phys.org Sustainable chemistry at the quantum level Developing catalysts for sustainable fuel and chemical production requires a kind of Goldilocks Effect—some catalysts are too ineffective while others are too uneconomical. Catalyst testing also takes a lot of time and resources. New breakthroughs in computational quantum chemistry, however, hold promise for discovering catalysts that are "just right" and thousands of times faster than standard approaches.
- :: GRANTS.GOV Notice of Intent to Award This notice is not a request for applications. This provides public notice of the Bureau of Reclamation’s intention to fund the following project activities without full and open competition.The Recipient has expertise in creating and modeling the type of algorithms used in evaporation estimates. Reclamation has previously partnered with DRI to create open source software for the modeling and tracking of evaporation. The Principal Investigator and Desert Research Institute has the expertise and past performance in evaporation and evapotranspiration studies with climate and satellite web application projects.This activity is a continuation of activities funded under an existing cooperative agreement and is necessary to satisfactorily complete the project.