Zobrazeno 1 - 10
of 2 551
pro vyhledávání: '"A. A. Oganov"'
On the Origin of $A$-type Antiferromagnetism and Chiral Split Magnons in Altermagnetic $\alpha$-MnTe
Autor:
Alaei, Mojtaba, Sobieszczyk, Pawel, Ptok, Andrzej, Rezaei, Nafise, Oganov, Artem R., Qaiumzadeh, Alireza
The origin of the $A$-type antiferromagnetic ordering, where ferromagnetic layers couple antiferromagnetically, in the semiconductor altermagnet $\alpha$-MnTe has been a subject of ongoing debate. Experimentally, $\alpha$-MnTe exhibits a nearest-neig
Externí odkaz:
http://arxiv.org/abs/2411.11985
Autor:
Alaei, Mojtaba, Oganov, Artem R.
In this paper, we introduce an efficient, linear algebra-based method for optimizing supercell selection to determine Heisenberg exchange parameters from DFT calculations. A widely used approach for deriving these parameters involves mapping DFT ener
Externí odkaz:
http://arxiv.org/abs/2410.14356
Autor:
Mazitov, Arslan, Kruglov, Ivan, Yanilkin, Alexey V., Arsenin, Aleksey V., Volkov, Valentyn S., Kvashnin, Dmitry G., Oganov, Artem R., Novoselov, Kostya S.
Two-dimensional materials have attracted considerable attention due to their remarkable electronic, mechanical and optical properties, making them prime candidates for next-generation electronic and optoelectronic applications. Despite their widespre
Externí odkaz:
http://arxiv.org/abs/2408.08663
Autor:
Fan, Tao, Oganov, Artem R.
Thermoelectric materials can achieve direct energy conversion between electricity and heat, thus can be applied to waste heat harvesting and solid-state cooling. The discovery of new thermoelectric materials is mainly based on experiments and first-p
Externí odkaz:
http://arxiv.org/abs/2405.02618
Autor:
Zhou, Di, Semenok, Dmitrii V., Galasso, Michele, Alabarse, Frederico Gil, Sannikov, Denis A., Troyan, Ivan A., Nakamoto, Yuki, Shimizu, Katsuya, Oganov, Artem R.
Publikováno v:
Adv. Energy Mater. 2024, 2400077
We proposed a new method for synthesis of metal polyhydrides via high-pressure thermal decomposition of corresponding amidoboranes in diamond anvil cells. Within this approach, we synthesized molecular semiconducting cesium ($\textit P4/nmm$-CsH$_7$,
Externí odkaz:
http://arxiv.org/abs/2401.00742
Autor:
Jalolov, Faridun N., Podryabinkin, Evgeny V., Oganov, Artem R., Shapeev, Alexander V., Kvashnin, Alexander G.
Calculations of elastic and mechanical characteristics of non-crystalline solids are challenging due to high computation cost of $ab$ $initio$ methods and low accuracy of empirical potentials. We propose a computational technique towards efficient ca
Externí odkaz:
http://arxiv.org/abs/2309.15868
Ternary or more complex hydrogen-rich hydrides are the main hope of reaching room-temperature superconductivity at high pressures. Their chemical space is vast and its exploration is challenging. Here we report the investigation of the La-Mg-H ternar
Externí odkaz:
http://arxiv.org/abs/2308.15031
Autor:
Korotin, Dmitry M., Novoselov, Dmitry Y., Shorikov, Alexey O., Anisimov, Vladimir I., Oganov, Artem R.
We present results of the first investigations on the correlated nature of electronic states that cross the Fermi level in Pb$_9$Cu(PO$_4$)$_6$O aka LK-99 obtained within the DFT + DMFT approach. Coulomb correlations between Cu-$d$ electrons led to t
Externí odkaz:
http://arxiv.org/abs/2308.04301
Autor:
Liu, Chang, Tamaki, Hiromasa, Yokoyama, Tomoyasu, Wakasugi, Kensuke, Yotsuhashi, Satoshi, Kusaba, Minoru, Oganov, Artem R., Yoshida, Ryo
Stable or metastable crystal structures of assembled atoms can be predicted by finding the global or local minima of the energy surface within a broad space of atomic configurations. Generally, this requires repeated first-principles energy calculati
Externí odkaz:
http://arxiv.org/abs/2305.02158
Autor:
Hao, Chun-Mei, Li, Xing, Oganov, Artem R., Hou, Jingyu, Ding, Shicong, Ge, Yanfeng, Wang, Lin, Dong, Xiao, Wang, Hui-Tian, Yang, Guochun, Zhou, Xiang-Feng, Tian, Yongjun
The discovery of superconductivity in CaC6 with a critical temperature (Tc) of 11.5 K reignites much interest in exploring high-temperature superconductivity in graphite intercalation compounds (GICs). Here we identify a GIC NaC4, discovered by ab in
Externí odkaz:
http://arxiv.org/abs/2305.00444